CID 59095

Nsc659174

Structural Information

Molecular Formula
C9H6Cl2F10O3
SMILES
C(C(=O)CC(C(F)(F)F)(C(F)(F)Cl)O)C(C(F)(F)F)(C(F)(F)Cl)O
InChI
InChI=1S/C9H6Cl2F10O3/c10-6(12,13)4(23,8(16,17)18)1-3(22)2-5(24,7(11,14)15)9(19,20)21/h23-24H,1-2H2
InChIKey
HYRVFUYATWPFFE-UHFFFAOYSA-N
Compound name
1-chloro-6-[chloro(difluoro)methyl]-1,1,7,7,7-pentafluoro-2,6-dihydroxy-2-(trifluoromethyl)heptan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.95343 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.96071 200.1
[M+Na]+ 444.94265 199.6
[M+NH4]+ 439.98725 198.5
[M+K]+ 460.91659 197.6
[M-H]- 420.94615 191.9
[M+Na-2H]- 442.92810 195.7
[M]+ 421.95288 197.5
[M]- 421.95398 197.5
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.