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

121
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 142.3
[M+Na]+ 227.01372 151.2
[M-H]- 203.01722 148.7
[M+NH4]+ 222.05832 163.0
[M+K]+ 242.98766 147.5
[M+H-H2O]+ 187.02176 136.8
[M+HCOO]- 249.02270 161.6
[M+CH3COO]- 263.03835 179.3
[M+Na-2H]- 224.99917 144.1
[M]+ 204.02395 143.7
[M]- 204.02505 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