CID 66784

2-chloro-5-nitrobenzenesulfonamide

Structural Information

Molecular Formula
C6H5ClN2O4S
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)N)Cl
InChI
InChI=1S/C6H5ClN2O4S/c7-5-2-1-4(9(10)11)3-6(5)14(8,12)13/h1-3H,(H2,8,12,13)
InChIKey
ZAJALNCZCSSGJC-UHFFFAOYSA-N
Compound name
2-chloro-5-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

236
Patents

235.96585 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.97313 141.3
[M+Na]+ 258.95507 153.3
[M+NH4]+ 253.99967 148.6
[M+K]+ 274.92901 149.8
[M-H]- 234.95857 143.2
[M+Na-2H]- 256.94052 146.5
[M]+ 235.96530 144.0
[M]- 235.96640 144.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe