CID 3463933

108409-83-2

Structural Information

Molecular Formula
C13H10Cl2N2O4S
SMILES
CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl
InChI
InChI=1S/C13H10Cl2N2O4S/c1-8-6-10(17(18)19)3-5-12(8)16-22(20,21)13-7-9(14)2-4-11(13)15/h2-7,16H,1H3
InChIKey
AXNUEXXEQGQWPA-UHFFFAOYSA-N
Compound name
2,5-dichloro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

51
References

149
Patents

359.97385 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.98113 174.6
[M+Na]+ 382.96307 182.9
[M-H]- 358.96657 181.3
[M+NH4]+ 378.00767 187.8
[M+K]+ 398.93701 172.8
[M+H-H2O]+ 342.97111 173.8
[M+HCOO]- 404.97205 185.3
[M+CH3COO]- 418.98770 204.3
[M+Na-2H]- 380.94852 179.3
[M]+ 359.97330 178.7
[M]- 359.97440 178.7
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