CID 132398782

[4-(1,1-difluoroethyl)oxan-4-yl]methanesulfonyl chloride

Structural Information

Molecular Formula
C8H13ClF2O3S
SMILES
CC(C1(CCOCC1)CS(=O)(=O)Cl)(F)F
InChI
InChI=1S/C8H13ClF2O3S/c1-7(10,11)8(6-15(9,12)13)2-4-14-5-3-8/h2-6H2,1H3
InChIKey
WUQVMHJLLLAALS-UHFFFAOYSA-N
Compound name
[4-(1,1-difluoroethyl)oxan-4-yl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.0242 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.031476 147.6
[M+Na]+ 285.013418 154.9
[M-H]- 261.016924 148.9
[M+NH4]+ 280.058023 166.0
[M+K]+ 300.987358 152.9
[M+H-H2O]+ 245.021460 142.8
[M+HCOO]- 307.022401 153.6
[M+CH3COO]- 321.038051 187.3
[M+Na-2H]- 282.998866 153.3
[M]+ 262.02365142 147.5
[M]- 262.02474858 147.5
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.