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

241
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 141.5
[M+Na]+ 258.95507 150.3
[M-H]- 234.95857 145.4
[M+NH4]+ 253.99967 159.1
[M+K]+ 274.92901 142.2
[M+H-H2O]+ 218.96311 141.6
[M+HCOO]- 280.96405 157.6
[M+CH3COO]- 294.97970 179.9
[M+Na-2H]- 256.94052 148.0
[M]+ 235.96530 142.4
[M]- 235.96640 142.4
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