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]+ 260.95946 149.7
[M+Na]+ 282.94140 158.8
[M+NH4]+ 277.98600 154.9
[M+K]+ 298.91534 152.8
[M-H]- 258.94490 145.7
[M+Na-2H]- 280.92685 152.7
[M]+ 259.95163 150.2
[M]- 259.95273 150.2
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.