CID 83773

4-chloro-2-nitrobenzenesulfonamide

Structural Information

Molecular Formula
C6H5ClN2O4S
SMILES
C1=CC(=C(C=C1Cl)[N+](=O)[O-])S(=O)(=O)N
InChI
InChI=1S/C6H5ClN2O4S/c7-4-1-2-6(14(8,12)13)5(3-4)9(10)11/h1-3H,(H2,8,12,13)
InChIKey
QOQQUXGKXVOXTH-UHFFFAOYSA-N
Compound name
4-chloro-2-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

14
Patents

235.96585 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.973126 141.5
[M+Na]+ 258.955068 150.3
[M-H]- 234.958574 145.4
[M+NH4]+ 253.999673 159.1
[M+K]+ 274.929008 142.2
[M+H-H2O]+ 218.963110 141.6
[M+HCOO]- 280.964051 157.6
[M+CH3COO]- 294.979701 179.9
[M+Na-2H]- 256.940516 148.0
[M]+ 235.96530142 142.4
[M]- 235.96639858 142.4
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