CID 131456109

1804407-71-3

Structural Information

Molecular Formula
C7H4Cl2F2O3S
SMILES
C1=CC(=C(C(=C1)Cl)OC(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C7H4Cl2F2O3S/c8-4-2-1-3-5(15(9,12)13)6(4)14-7(10)11/h1-3,7H
InChIKey
HJMGMGMJFFGZCC-UHFFFAOYSA-N
Compound name
3-chloro-2-(difluoromethoxy)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.92264 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.92992 142.2
[M+Na]+ 298.91186 153.6
[M-H]- 274.91536 144.1
[M+NH4]+ 293.95646 160.5
[M+K]+ 314.88580 148.5
[M+H-H2O]+ 258.91990 137.5
[M+HCOO]- 320.92084 149.2
[M+CH3COO]- 334.93649 190.9
[M+Na-2H]- 296.89731 144.8
[M]+ 275.92209 146.9
[M]- 275.92319 146.9
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.