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]+ 263.03148 147.6
[M+Na]+ 285.01342 154.9
[M-H]- 261.01692 148.9
[M+NH4]+ 280.05802 166.0
[M+K]+ 300.98736 152.9
[M+H-H2O]+ 245.02146 142.8
[M+HCOO]- 307.02240 153.6
[M+CH3COO]- 321.03805 187.3
[M+Na-2H]- 282.99887 153.3
[M]+ 262.02365 147.5
[M]- 262.02475 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.