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]+ 249.01582 142.8
[M+Na]+ 270.99776 150.0
[M-H]- 247.00126 144.1
[M+NH4]+ 266.04236 161.7
[M+K]+ 286.97170 148.2
[M+H-H2O]+ 231.00580 137.9
[M+HCOO]- 293.00674 149.6
[M+CH3COO]- 307.02239 184.7
[M+Na-2H]- 268.98321 146.9
[M]+ 248.00799 142.3
[M]- 248.00909 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.