CID 1223184

4-phenylthiophene-2-carboxylic acid

Structural Information

Molecular Formula
C11H8O2S
SMILES
C1=CC=C(C=C1)C2=CSC(=C2)C(=O)O
InChI
InChI=1S/C11H8O2S/c12-11(13)10-6-9(7-14-10)8-4-2-1-3-5-8/h1-7H,(H,12,13)
InChIKey
DOAFBJFYWLESRS-UHFFFAOYSA-N
Compound name
4-phenylthiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

204.0245 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.031776 142.3
[M+Na]+ 227.013718 151.2
[M-H]- 203.017224 148.7
[M+NH4]+ 222.058323 163.0
[M+K]+ 242.987658 147.5
[M+H-H2O]+ 187.021760 136.8
[M+HCOO]- 249.022701 161.6
[M+CH3COO]- 263.038351 179.3
[M+Na-2H]- 224.999166 144.1
[M]+ 204.02395142 143.7
[M]- 204.02504858 143.7
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