CID 166000889

4-(chlorodifluoromethoxy)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H4Cl2F2O3S
SMILES
C1=CC(=CC=C1OC(F)(F)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C7H4Cl2F2O3S/c8-7(10,11)14-5-1-3-6(4-2-5)15(9,12)13/h1-4H
InChIKey
URMACYKBLUBOCZ-UHFFFAOYSA-N
Compound name
4-[chloro(difluoro)methoxy]benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.92264 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.92992 144.9
[M+Na]+ 298.91186 156.0
[M-H]- 274.91536 146.6
[M+NH4]+ 293.95646 163.0
[M+K]+ 314.88580 150.8
[M+H-H2O]+ 258.91990 140.0
[M+HCOO]- 320.92084 151.3
[M+CH3COO]- 334.93649 189.3
[M+Na-2H]- 296.89731 149.8
[M]+ 275.92209 149.1
[M]- 275.92319 149.1
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.