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]+ 238.992806 148.2
[M+Na]+ 260.974748 158.6
[M-H]- 236.978254 154.9
[M+NH4]+ 256.019353 168.7
[M+K]+ 276.948688 153.2
[M+H-H2O]+ 220.982790 143.7
[M+HCOO]- 282.983731 162.9
[M+CH3COO]- 296.999381 184.2
[M+Na-2H]- 258.960196 148.9
[M]+ 237.98498142 152.0
[M]- 237.98607858 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.