CID 155822465

(4,4-difluoro-1-methoxycyclohexyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C8H13ClF2O3S
SMILES
COC1(CCC(CC1)(F)F)CS(=O)(=O)Cl
InChI
InChI=1S/C8H13ClF2O3S/c1-14-7(6-15(9,12)13)2-4-8(10,11)5-3-7/h2-6H2,1H3
InChIKey
PVGBSZAZTGKXPW-UHFFFAOYSA-N
Compound name
(4,4-difluoro-1-methoxycyclohexyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.0242 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.031476 145.4
[M+Na]+ 285.013418 153.9
[M-H]- 261.016924 146.4
[M+NH4]+ 280.058023 167.2
[M+K]+ 300.987358 150.8
[M+H-H2O]+ 245.021460 141.5
[M+HCOO]- 307.022401 153.6
[M+CH3COO]- 321.038051 187.7
[M+Na-2H]- 282.998866 150.2
[M]+ 262.02365142 146.2
[M]- 262.02474858 146.2
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.