CID 345908

He 761

Structural Information

Molecular Formula
C12H8Cl2N2O4S
SMILES
C1=CC(=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C12H8Cl2N2O4S/c13-11-6-5-10(7-12(11)14)21(19,20)15-8-1-3-9(4-2-8)16(17)18/h1-7,15H
InChIKey
HAYZJERLLURJEF-UHFFFAOYSA-N
Compound name
3,4-dichloro-N-(4-nitrophenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

345.9582 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.96548 170.2
[M+Na]+ 368.94742 178.1
[M-H]- 344.95092 176.7
[M+NH4]+ 363.99202 183.7
[M+K]+ 384.92136 168.2
[M+H-H2O]+ 328.95546 169.4
[M+HCOO]- 390.95640 181.3
[M+CH3COO]- 404.97205 200.2
[M+Na-2H]- 366.93287 175.9
[M]+ 345.95765 173.5
[M]- 345.95875 173.5
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

No patent data available for this compound.