CID 53224811

5-chloro-3-(thiophen-2-yl)benzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.98553 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.99281 148.2
[M+Na]+ 260.97475 158.6
[M-H]- 236.97825 154.9
[M+NH4]+ 256.01935 168.7
[M+K]+ 276.94869 153.2
[M+H-H2O]+ 220.98279 143.7
[M+HCOO]- 282.98373 162.9
[M+CH3COO]- 296.99938 184.2
[M+Na-2H]- 258.96020 148.9
[M]+ 237.98498 152.0
[M]- 237.98608 152.0
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.