CID 86812184

3-chloro-4-methyl-5-sulfamoylthiophene-2-carboxylic acid

Structural Information

Molecular Formula
C6H6ClNO4S2
SMILES
CC1=C(SC(=C1Cl)C(=O)O)S(=O)(=O)N
InChI
InChI=1S/C6H6ClNO4S2/c1-2-3(7)4(5(9)10)13-6(2)14(8,11)12/h1H3,(H,9,10)(H2,8,11,12)
InChIKey
RUYOYBYONCKOIB-UHFFFAOYSA-N
Compound name
3-chloro-4-methyl-5-sulfamoylthiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.94267 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.94995 149.4
[M+Na]+ 277.93189 159.7
[M-H]- 253.93539 152.3
[M+NH4]+ 272.97649 168.6
[M+K]+ 293.90583 154.2
[M+H-H2O]+ 237.93993 146.2
[M+HCOO]- 299.94087 157.4
[M+CH3COO]- 313.95652 187.0
[M+Na-2H]- 275.91734 148.5
[M]+ 254.94212 153.5
[M]- 254.94322 153.5
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

No patent data available for this compound.