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

53
Patents

176.99182 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.99910 136.6
[M+Na]+ 199.98104 145.4
[M+NH4]+ 195.02564 144.9
[M+K]+ 215.95498 139.3
[M-H]- 175.98454 137.4
[M+Na-2H]- 197.96649 139.8
[M]+ 176.99127 138.8
[M]- 176.99237 138.8
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