1621953-16-9 (C16H7Cl3F26Si)

Structural Information

Molecular Formula

SMILES

C(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C[Si](Cl)(Cl)Cl)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C16H7Cl3F26Si/c17-46(18,19)3-4(6(22,23)8(26,27)10(30,31)12(34,35)14(38,39)16(43,44)45)1-2-5(20,21)7(24,25)9(28,29)11(32,33)13(36,37)15(40,41)42/h4H,1-3H2

InChIKey

DNAXFVIUOFWRIJ-UHFFFAOYSA-N

Compound name

trichloro-[5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)decyl]silane

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]+	826.903976	211.3
[M+Na]+	848.885918	215.4
[M-H]-	824.889424	223.1
[M+NH4]+	843.930523	224.6
[M+K]+	864.859858	231.1
[M+H-H2O]+	808.893960	199.8
[M+HCOO]-	870.894901	227.2
[M+CH3COO]-	884.910551	270.2
[M+Na-2H]-	846.871366	213.6
[M]+	825.89615142	215.0
[M]-	825.89724858	215.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

826.903976

211.3

[M+Na]+

848.885918

215.4

[M-H]-

824.889424

223.1

[M+NH4]+

843.930523

224.6

[M+K]+

864.859858

231.1

[M+H-H2O]+

808.893960

199.8

[M+HCOO]-

870.894901

227.2

[M+CH3COO]-

884.910551

270.2

[M+Na-2H]-

846.871366

213.6

[M]+

825.89615142

215.0

[M]-

825.89724858

215.0

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

1621953-16-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe