CID 165692030

[4-(difluoromethyl)oxan-4-yl]methanesulfonyl chloride

Structural Information

Molecular Formula
C7H11ClF2O3S
SMILES
C1COCCC1(CS(=O)(=O)Cl)C(F)F
InChI
InChI=1S/C7H11ClF2O3S/c8-14(11,12)5-7(6(9)10)1-3-13-4-2-7/h6H,1-5H2
InChIKey
FGOXYYHJCVOUID-UHFFFAOYSA-N
Compound name
[4-(difluoromethyl)oxan-4-yl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.00854 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.015816 142.8
[M+Na]+ 270.997758 150.0
[M-H]- 247.001264 144.1
[M+NH4]+ 266.042363 161.7
[M+K]+ 286.971698 148.2
[M+H-H2O]+ 231.005800 137.9
[M+HCOO]- 293.006741 149.6
[M+CH3COO]- 307.022391 184.7
[M+Na-2H]- 268.983206 146.9
[M]+ 248.00799142 142.3
[M]- 248.00908858 142.3
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.