CID 119031207

(1-fluorocyclohexyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C7H12ClFO2S
SMILES
C1CCC(CC1)(CS(=O)(=O)Cl)F
InChI
InChI=1S/C7H12ClFO2S/c8-12(10,11)6-7(9)4-2-1-3-5-7/h1-6H2
InChIKey
YGZLCDRQMGWURB-UHFFFAOYSA-N
Compound name
(1-fluorocyclohexyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.02306 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.03034 139.3
[M+Na]+ 237.01228 146.8
[M-H]- 213.01578 141.3
[M+NH4]+ 232.05688 161.0
[M+K]+ 252.98622 143.4
[M+H-H2O]+ 197.02032 135.3
[M+HCOO]- 259.02126 148.7
[M+CH3COO]- 273.03691 179.1
[M+Na-2H]- 234.99773 143.6
[M]+ 214.02251 138.5
[M]- 214.02361 138.5
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.