CID 3036912

Clantifen

Structural Information

Molecular Formula
C11H7Cl2NO2S
SMILES
C1=CC(=C(C(=C1)Cl)NC2=CSC=C2C(=O)O)Cl
InChI
InChI=1S/C11H7Cl2NO2S/c12-7-2-1-3-8(13)10(7)14-9-5-17-4-6(9)11(15)16/h1-5,14H,(H,15,16)
InChIKey
CWEUKXMDWMAICX-UHFFFAOYSA-N
Compound name
4-(2,6-dichloroanilino)thiophene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

286.95746 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.96474 158.4
[M+Na]+ 309.94668 168.7
[M-H]- 285.95018 164.5
[M+NH4]+ 304.99128 177.1
[M+K]+ 325.92062 162.0
[M+H-H2O]+ 269.95472 154.4
[M+HCOO]- 331.95566 168.8
[M+CH3COO]- 345.97131 194.8
[M+Na-2H]- 307.93213 158.3
[M]+ 286.95691 162.9
[M]- 286.95801 162.9
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.