CID 2735782

5-chloro-4-nitrothiophene-2-sulfonamide

Structural Information

Molecular Formula
C4H3ClN2O4S2
SMILES
C1=C(SC(=C1[N+](=O)[O-])Cl)S(=O)(=O)N
InChI
InChI=1S/C4H3ClN2O4S2/c5-4-2(7(8)9)1-3(12-4)13(6,10)11/h1H,(H2,6,10,11)
InChIKey
CKMLFNQCVNTKHN-UHFFFAOYSA-N
Compound name
5-chloro-4-nitrothiophene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

83
Patents

241.92227 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.92955 144.7
[M+Na]+ 264.91149 153.6
[M-H]- 240.91499 148.5
[M+NH4]+ 259.95609 163.6
[M+K]+ 280.88543 144.7
[M+H-H2O]+ 224.91953 145.2
[M+HCOO]- 286.92047 156.0
[M+CH3COO]- 300.93612 178.8
[M+Na-2H]- 262.89694 148.4
[M]+ 241.92172 145.4
[M]- 241.92282 145.4
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