CID 817930

2-formylthiophene-3-carboxylic acid

Structural Information

Molecular Formula
C6H4O3S
SMILES
C1=CSC(=C1C(=O)O)C=O
InChI
InChI=1S/C6H4O3S/c7-3-5-4(6(8)9)1-2-10-5/h1-3H,(H,8,9)
InChIKey
IZHLGRWNUWACRX-UHFFFAOYSA-N
Compound name
2-formylthiophene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

155.98811 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.99539 130.8
[M+Na]+ 178.97733 140.8
[M+NH4]+ 174.02193 138.7
[M+K]+ 194.95127 136.2
[M-H]- 154.98083 130.8
[M+Na-2H]- 176.96278 134.4
[M]+ 155.98756 132.4
[M]- 155.98866 132.4
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