CID 600930

5-methylthiophene-2-sulfonamide

Structural Information

Molecular Formula
C5H7NO2S2
SMILES
CC1=CC=C(S1)S(=O)(=O)N
InChI
InChI=1S/C5H7NO2S2/c1-4-2-3-5(9-4)10(6,7)8/h2-3H,1H3,(H2,6,7,8)
InChIKey
QIFRWYJBGDRVKY-UHFFFAOYSA-N
Compound name
5-methylthiophene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
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 134.3
[M+Na]+ 199.98104 144.4
[M-H]- 175.98454 138.1
[M+NH4]+ 195.02564 156.5
[M+K]+ 215.95498 140.8
[M+H-H2O]+ 159.98908 129.6
[M+HCOO]- 221.99002 149.2
[M+CH3COO]- 236.00567 176.1
[M+Na-2H]- 197.96649 135.9
[M]+ 176.99127 136.1
[M]- 176.99237 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