CID 111725

68901-10-0

Structural Information

Molecular Formula
C14H13ClN2O4S
SMILES
CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C
InChI
InChI=1S/C14H13ClN2O4S/c1-9-3-6-13(10(2)7-9)16-22(20,21)14-8-11(17(18)19)4-5-12(14)15/h3-8,16H,1-2H3
InChIKey
ZIHWGAIUGNNWJP-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

340.02844 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.03572 172.4
[M+Na]+ 363.01766 180.4
[M-H]- 339.02116 179.7
[M+NH4]+ 358.06226 186.0
[M+K]+ 378.99160 170.8
[M+H-H2O]+ 323.02570 170.4
[M+HCOO]- 385.02664 187.9
[M+CH3COO]- 399.04229 202.9
[M+Na-2H]- 361.00311 177.5
[M]+ 340.02789 175.6
[M]- 340.02899 175.6
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