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 130.0
[M+Na]+ 176.99807 139.2
[M-H]- 153.00157 133.1
[M+NH4]+ 172.04267 152.8
[M+K]+ 192.97201 136.5
[M+H-H2O]+ 137.00611 125.5
[M+HCOO]- 199.00705 148.9
[M+CH3COO]- 213.02270 170.8
[M+Na-2H]- 174.98352 131.1
[M]+ 154.00830 131.5
[M]- 154.00940 131.5
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.