CID 79018133

2-(difluoromethoxy)-5-fluorobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H4ClF3O3S
SMILES
C1=CC(=C(C=C1F)S(=O)(=O)Cl)OC(F)F
InChI
InChI=1S/C7H4ClF3O3S/c8-15(12,13)6-3-4(9)1-2-5(6)14-7(10)11/h1-3,7H
InChIKey
IWJHQWQEYHAZAC-UHFFFAOYSA-N
Compound name
2-(difluoromethoxy)-5-fluorobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.95218 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.959456 140.1
[M+Na]+ 282.941398 151.2
[M-H]- 258.944904 140.9
[M+NH4]+ 277.986003 158.5
[M+K]+ 298.915338 147.0
[M+H-H2O]+ 242.949440 133.4
[M+HCOO]- 304.950381 150.9
[M+CH3COO]- 318.966031 189.0
[M+Na-2H]- 280.926846 142.6
[M]+ 259.95163142 142.6
[M]- 259.95272858 142.6
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.