CID 51064979

5-chloro-2-(difluoromethoxy)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H4Cl2F2O3S
SMILES
C1=CC(=C(C=C1Cl)S(=O)(=O)Cl)OC(F)F
InChI
InChI=1S/C7H4Cl2F2O3S/c8-4-1-2-5(14-7(10)11)6(3-4)15(9,12)13/h1-3,7H
InChIKey
MZJHCKWXCWYMPJ-UHFFFAOYSA-N
Compound name
5-chloro-2-(difluoromethoxy)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

275.92264 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.929916 142.2
[M+Na]+ 298.911858 153.6
[M-H]- 274.915364 144.1
[M+NH4]+ 293.956463 160.5
[M+K]+ 314.885798 148.5
[M+H-H2O]+ 258.919900 137.5
[M+HCOO]- 320.920841 149.2
[M+CH3COO]- 334.936491 190.9
[M+Na-2H]- 296.897306 144.8
[M]+ 275.92209142 146.9
[M]- 275.92318858 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

patents stripe