CID 155858704

2580244-28-4

Structural Information

Molecular Formula
C9H14ClF3O2S
SMILES
C1CC(CCC1CC(F)(F)F)CS(=O)(=O)Cl
InChI
InChI=1S/C9H14ClF3O2S/c10-16(14,15)6-8-3-1-7(2-4-8)5-9(11,12)13/h7-8H,1-6H2
InChIKey
SQSIZFXYDQVDHA-UHFFFAOYSA-N
Compound name
[4-(2,2,2-trifluoroethyl)cyclohexyl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.03552 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.04280 153.1
[M+Na]+ 301.02474 160.3
[M-H]- 277.02824 152.3
[M+NH4]+ 296.06934 170.5
[M+K]+ 316.99868 155.7
[M+H-H2O]+ 261.03278 146.5
[M+HCOO]- 323.03372 158.2
[M+CH3COO]- 337.04937 191.9
[M+Na-2H]- 299.01019 154.2
[M]+ 278.03497 150.2
[M]- 278.03607 150.2
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.