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]+ 155.016126 130.0
[M+Na]+ 176.998068 139.2
[M-H]- 153.001574 133.1
[M+NH4]+ 172.042673 152.8
[M+K]+ 192.972008 136.5
[M+H-H2O]+ 137.006110 125.5
[M+HCOO]- 199.007051 148.9
[M+CH3COO]- 213.022701 170.8
[M+Na-2H]- 174.983516 131.1
[M]+ 154.00830142 131.5
[M]- 154.00939858 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.