CID 59112336

Schembl14265449

Structural Information

Molecular Formula
C14H12ClF19Si
SMILES
C(C[Si](CCC(F)(F)F)(CCC(F)(F)F)Cl)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H12ClF19Si/c15-35(5-2-8(18,19)20,6-3-9(21,22)23)4-1-7(16,17)10(24,25)11(26,27)12(28,29)13(30,31)14(32,33)34/h1-6H2
InChIKey
DMJMZCZNQPAUAH-UHFFFAOYSA-N
Compound name
chloro-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-bis(3,3,3-trifluoropropyl)silane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

604.00934 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 605.01662 188.8
[M+Na]+ 626.99856 194.2
[M-H]- 603.00206 194.5
[M+NH4]+ 622.04316 198.3
[M+K]+ 642.97250 205.2
[M+H-H2O]+ 587.00660 177.5
[M+HCOO]- 649.00754 208.2
[M+CH3COO]- 663.02319 250.3
[M+Na-2H]- 624.98401 187.2
[M]+ 604.00879 189.0
[M]- 604.00989 189.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe