CID 138986722

4-ethenylthiophene-2-carboxylic acid

Structural Information

Molecular Formula
C7H6O2S
SMILES
C=CC1=CSC(=C1)C(=O)O
InChI
InChI=1S/C7H6O2S/c1-2-5-3-6(7(8)9)10-4-5/h2-4H,1H2,(H,8,9)
InChIKey
LVNDVRISXRMNSH-UHFFFAOYSA-N
Compound name
4-ethenylthiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.00885 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.01613 131.9
[M+Na]+ 176.99807 142.2
[M+NH4]+ 172.04267 140.2
[M+K]+ 192.97201 136.8
[M-H]- 153.00157 132.4
[M+Na-2H]- 174.98352 135.7
[M]+ 154.00830 133.7
[M]- 154.00940 133.7
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

No patent data available for this compound.