CID 59112332

Schembl14265436

Structural Information

Molecular Formula
C12H12ClF15Si
SMILES
C(C[Si](CCC(F)(F)F)(CCC(F)(F)F)Cl)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H12ClF15Si/c13-29(5-2-8(16,17)18,6-3-9(19,20)21)4-1-7(14,15)10(22,23)11(24,25)12(26,27)28/h1-6H2
InChIKey
ZVRASRMAVYDRIU-UHFFFAOYSA-N
Compound name
chloro-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-bis(3,3,3-trifluoropropyl)silane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

504.01572 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.02300 197.9
[M+Na]+ 527.00494 206.6
[M-H]- 503.00844 179.6
[M+NH4]+ 522.04954 184.2
[M+K]+ 542.97888 200.3
[M+H-H2O]+ 487.01298 183.1
[M+HCOO]- 549.01392 197.0
[M+CH3COO]- 563.02957 235.3
[M+Na-2H]- 524.99039 198.5
[M]+ 504.01517 177.6
[M]- 504.01627 177.6
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