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]+ 263.03148 145.4
[M+Na]+ 285.01342 153.9
[M-H]- 261.01692 146.4
[M+NH4]+ 280.05802 167.2
[M+K]+ 300.98736 150.8
[M+H-H2O]+ 245.02146 141.5
[M+HCOO]- 307.02240 153.6
[M+CH3COO]- 321.03805 187.7
[M+Na-2H]- 282.99887 150.2
[M]+ 262.02365 146.2
[M]- 262.02475 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.