CID 137826

3102-79-2

Structural Information

Molecular Formula
C11H7Cl2F17Si
SMILES
C[Si](CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(Cl)Cl
InChI
InChI=1S/C11H7Cl2F17Si/c1-31(12,13)3-2-4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)30/h2-3H2,1H3
InChIKey
PVBMWIXRKLGXPI-UHFFFAOYSA-N
Compound name
dichloro-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

508
Patents

559.94226 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 560.94954 180.1
[M+Na]+ 582.93148 186.4
[M-H]- 558.93498 187.4
[M+NH4]+ 577.97608 190.2
[M+K]+ 598.90542 196.4
[M+H-H2O]+ 542.93952 186.0
[M+HCOO]- 604.94046 200.9
[M+CH3COO]- 618.95611 242.7
[M+Na-2H]- 580.91693 179.9
[M]+ 559.94171 184.5
[M]- 559.94281 184.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe