CID 231836

2'-chloro-4'-nitrobenzenesulfonanilide

Structural Information

Molecular Formula
C12H9ClN2O4S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C12H9ClN2O4S/c13-11-8-9(15(16)17)6-7-12(11)14-20(18,19)10-4-2-1-3-5-10/h1-8,14H
InChIKey
PZBATUNEVLSDIG-UHFFFAOYSA-N
Compound name
N-(2-chloro-4-nitrophenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

19
Patents

311.99716 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.00444 163.5
[M+Na]+ 334.98638 170.8
[M-H]- 310.98988 170.5
[M+NH4]+ 330.03098 177.8
[M+K]+ 350.96032 161.5
[M+H-H2O]+ 294.99442 161.6
[M+HCOO]- 356.99536 179.8
[M+CH3COO]- 371.01101 194.6
[M+Na-2H]- 332.97183 170.9
[M]+ 311.99661 165.3
[M]- 311.99771 165.3
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