CID 129960516

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

Structural Information

Molecular Formula
C7H4ClF3O3S
SMILES
C1=C(C=C(C=C1F)S(=O)(=O)Cl)OC(F)F
InChI
InChI=1S/C7H4ClF3O3S/c8-15(12,13)6-2-4(9)1-5(3-6)14-7(10)11/h1-3,7H
InChIKey
BVQUOGYVCGCDOX-UHFFFAOYSA-N
Compound name
3-(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]+ 260.95946 140.1
[M+Na]+ 282.94140 151.2
[M-H]- 258.94490 140.9
[M+NH4]+ 277.98600 158.5
[M+K]+ 298.91534 147.0
[M+H-H2O]+ 242.94944 133.4
[M+HCOO]- 304.95038 150.9
[M+CH3COO]- 318.96603 189.0
[M+Na-2H]- 280.92685 142.6
[M]+ 259.95163 142.6
[M]- 259.95273 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.