CID 20099605

5-(3-chlorophenyl)thiophene-2-carboxylic acid

Structural Information

Molecular Formula
C11H7ClO2S
SMILES
C1=CC(=CC(=C1)Cl)C2=CC=C(S2)C(=O)O
InChI
InChI=1S/C11H7ClO2S/c12-8-3-1-2-7(6-8)9-4-5-10(15-9)11(13)14/h1-6H,(H,13,14)
InChIKey
PHEPUGXCVVHZGS-UHFFFAOYSA-N
Compound name
5-(3-chlorophenyl)thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

237.98553 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.99281 148.6
[M+Na]+ 260.97475 162.3
[M+NH4]+ 256.01935 158.1
[M+K]+ 276.94869 155.0
[M-H]- 236.97825 152.2
[M+Na-2H]- 258.96020 155.9
[M]+ 237.98498 152.3
[M]- 237.98608 152.3
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