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]+ 276.929916 144.9
[M+Na]+ 298.911858 156.0
[M-H]- 274.915364 146.6
[M+NH4]+ 293.956463 163.0
[M+K]+ 314.885798 150.8
[M+H-H2O]+ 258.919900 140.0
[M+HCOO]- 320.920841 151.3
[M+CH3COO]- 334.936491 189.3
[M+Na-2H]- 296.897306 149.8
[M]+ 275.92209142 149.1
[M]- 275.92318858 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.