PubChemLite - Perfluoroheptanoic anhydride (C14F26O3)

Structural Information

Molecular Formula

SMILES

C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C14F26O3/c15-3(16,5(19,20)7(23,24)9(27,28)11(31,32)13(35,36)37)1(41)43-2(42)4(17,18)6(21,22)8(25,26)10(29,30)12(33,34)14(38,39)40

InChIKey

NWDZSYHMBYNCRO-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate

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]+	710.95052	199.6
[M+Na]+	732.93246	203.8
[M-H]-	708.93596	213.5
[M+NH4]+	727.97706	214.4
[M+K]+	748.90640	217.4
[M+H-H2O]+	692.94050	187.7
[M+HCOO]-	754.94144	215.2
[M+CH3COO]-	768.95709	261.2
[M+Na-2H]-	730.91791	201.4
[M]+	709.94269	197.6
[M]-	709.94379	197.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

710.95052

199.6

[M+Na]+

732.93246

203.8

[M-H]-

708.93596

213.5

[M+NH4]+

727.97706

214.4

[M+K]+

748.90640

217.4

[M+H-H2O]+

692.94050

187.7

[M+HCOO]-

754.94144

215.2

[M+CH3COO]-

768.95709

261.2

[M+Na-2H]-

730.91791

201.4

[M]+

709.94269

197.6

[M]-

709.94379

197.6

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

Perfluoroheptanoic anhydride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe