CID 123573

1h,1h,2h,2h-perfluorooctylmethyldichlorosilane

Structural Information

Molecular Formula
C9H7Cl2F13Si
SMILES
C[Si](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(Cl)Cl
InChI
InChI=1S/C9H7Cl2F13Si/c1-25(10,11)3-2-4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h2-3H2,1H3
InChIKey
VBDMVWQNRXVEGC-UHFFFAOYSA-N
Compound name
dichloro-methyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

324
Patents

459.94864 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.95592 178.8
[M+Na]+ 482.93786 188.6
[M-H]- 458.94136 165.3
[M+NH4]+ 477.98246 188.8
[M+K]+ 498.91180 182.1
[M+H-H2O]+ 442.94590 166.4
[M+HCOO]- 504.94684 169.3
[M+CH3COO]- 518.96249 226.9
[M+Na-2H]- 480.92331 181.9
[M]+ 459.94809 162.6
[M]- 459.94919 162.6
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