CID 67302

137-49-5

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

35
Patents

311.99716 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.00444 161.4
[M+Na]+ 334.98638 175.4
[M+NH4]+ 330.03098 169.1
[M+K]+ 350.96032 169.8
[M-H]- 310.98988 166.3
[M+Na-2H]- 332.97183 170.0
[M]+ 311.99661 165.4
[M]- 311.99771 165.4
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