CID 341083

3-methylthiophene-2-sulfonamide

Structural Information

Molecular Formula
C5H7NO2S2
SMILES
CC1=C(SC=C1)S(=O)(=O)N
InChI
InChI=1S/C5H7NO2S2/c1-4-2-3-9-5(4)10(6,7)8/h2-3H,1H3,(H2,6,7,8)
InChIKey
CCCDPFVJVPDYRU-UHFFFAOYSA-N
Compound name
3-methylthiophene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

176.99182 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.999096 134.3
[M+Na]+ 199.981038 144.4
[M-H]- 175.984544 138.1
[M+NH4]+ 195.025643 156.5
[M+K]+ 215.954978 140.8
[M+H-H2O]+ 159.989080 129.6
[M+HCOO]- 221.990021 149.2
[M+CH3COO]- 236.005671 176.1
[M+Na-2H]- 197.966486 135.9
[M]+ 176.99127142 136.1
[M]- 176.99236858 136.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe