CID 67301

137-48-4

Structural Information

Molecular Formula
C7H7ClN2O4S
SMILES
CNS(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C7H7ClN2O4S/c1-9-15(13,14)5-2-3-6(8)7(4-5)10(11)12/h2-4,9H,1H3
InChIKey
UMNGEAKUUOJPAX-UHFFFAOYSA-N
Compound name
4-chloro-N-methyl-3-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

71
Patents

249.9815 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.988776 145.9
[M+Na]+ 272.970718 154.2
[M-H]- 248.974224 150.2
[M+NH4]+ 268.015323 163.2
[M+K]+ 288.944658 146.3
[M+H-H2O]+ 232.978760 145.8
[M+HCOO]- 294.979701 162.3
[M+CH3COO]- 308.995351 183.6
[M+Na-2H]- 270.956166 152.9
[M]+ 249.98095142 148.1
[M]- 249.98204858 148.1
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