CID 613486

5-(4-chlorophenyl)thiophene-2-carboxylic acid

Structural Information

Molecular Formula
C11H7ClO2S
SMILES
C1=CC(=CC=C1C2=CC=C(S2)C(=O)O)Cl
InChI
InChI=1S/C11H7ClO2S/c12-8-3-1-7(2-4-8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
InChIKey
GWLCYLPZQKOCTB-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
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 148.2
[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

literature stripe

Patent stripe

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