Bis((perfluorohexyl)ethyl) diazene-1,2-dicarboxylate (C18H8F26N2O4)

Structural Information

Molecular Formula

SMILES

C(COC(=O)N=NC(=O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C18H8F26N2O4/c19-7(20,9(23,24)11(27,28)13(31,32)15(35,36)17(39,40)41)1-3-49-5(47)45-46-6(48)50-4-2-8(21,22)10(25,26)12(29,30)14(33,34)16(37,38)18(42,43)44/h1-4H2

InChIKey

FTWZHENHOZOCPQ-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxycarbonylimino)carbamate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	811.014176	214.3
[M+Na]+	832.996118	220.6
[M-H]-	808.999624	231.7
[M+NH4]+	828.040723	231.5
[M+K]+	848.970058	233.7
[M+H-H2O]+	793.004160	202.5
[M+HCOO]-	855.005101	229.0
[M+CH3COO]-	869.020751	277.2
[M+Na-2H]-	830.981566	215.6
[M]+	810.00635142	210.8
[M]-	810.00744858	210.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

811.014176

214.3

[M+Na]+

832.996118

220.6

[M-H]-

808.999624

231.7

[M+NH4]+

828.040723

231.5

[M+K]+

848.970058

233.7

[M+H-H2O]+

793.004160

202.5

[M+HCOO]-

855.005101

229.0

[M+CH3COO]-

869.020751

277.2

[M+Na-2H]-

830.981566

215.6

[M]+

810.00635142

210.8

[M]-

810.00744858

210.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Bis((perfluorohexyl)ethyl) diazene-1,2-dicarboxylate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe