CID 85993549

753025-21-7

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
1
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 175.5
[M+Na]+ 650.87685 175.5
[M+NH4]+ 645.92145 175.2
[M+K]+ 666.85079 175.0
[M-H]- 626.88035 174.2
[M+Na-2H]- 648.86230 174.9
[M]+ 627.88708 175.1
[M]- 627.88818 175.1
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.