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

128
Patents

204.0245 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.03178 142.4
[M+Na]+ 227.01372 154.9
[M+NH4]+ 222.05832 151.7
[M+K]+ 242.98766 148.3
[M-H]- 203.01722 145.9
[M+Na-2H]- 224.99917 149.9
[M]+ 204.02395 145.6
[M]- 204.02505 145.6
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