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]+ 287.964736 158.4
[M+Na]+ 309.946678 168.7
[M-H]- 285.950184 164.5
[M+NH4]+ 304.991283 177.1
[M+K]+ 325.920618 162.0
[M+H-H2O]+ 269.954720 154.4
[M+HCOO]- 331.955661 168.8
[M+CH3COO]- 345.971311 194.8
[M+Na-2H]- 307.932126 158.3
[M]+ 286.95691142 162.9
[M]- 286.95800858 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.