CID 85993549

Trichloro[4-(perfluorooctyl)phenyl]silane

Structural Information

Molecular Formula
C14H4Cl3F17Si
SMILES
C1=CC(=CC=C1C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)[Si](Cl)(Cl)Cl
InChI
InChI=1S/C14H4Cl3F17Si/c15-35(16,17)6-3-1-5(2-4-6)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)13(30,31)14(32,33)34/h1-4H
InChIKey
UAEYHUAYUMSDJJ-UHFFFAOYSA-N
Compound name
trichloro-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]silane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

627.88763 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 628.89491 210.3
[M+Na]+ 650.87685 220.8
[M-H]- 626.88035 197.2
[M+NH4]+ 645.92145 214.3
[M+K]+ 666.85079 212.4
[M+H-H2O]+ 610.88489 194.3
[M+HCOO]- 672.88583 191.7
[M+CH3COO]- 686.90148 249.7
[M+Na-2H]- 648.86230 212.2
[M]+ 627.88708 189.8
[M]- 627.88818 189.8
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

No patent data available for this compound.