CID 58029454

5-chloro-2-(methylsulfonamido)benzoyl chloride

Structural Information

Molecular Formula
C8H7Cl2NO3S
SMILES
CS(=O)(=O)NC1=C(C=C(C=C1)Cl)C(=O)Cl
InChI
InChI=1S/C8H7Cl2NO3S/c1-15(13,14)11-7-3-2-5(9)4-6(7)8(10)12/h2-4,11H,1H3
InChIKey
XYIUDXOGWAYALX-UHFFFAOYSA-N
Compound name
5-chloro-2-(methanesulfonamido)benzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

266.95236 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.95964 154.4
[M+Na]+ 289.94158 166.5
[M+NH4]+ 284.98618 161.8
[M+K]+ 305.91552 159.0
[M-H]- 265.94508 154.9
[M+Na-2H]- 287.92703 159.4
[M]+ 266.95181 157.2
[M]- 266.95291 157.2
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

patents stripe