CID 3265086

5-(thiophen-2-yl)furan-2-carboxylic acid

Structural Information

Molecular Formula
C9H6O3S
SMILES
C1=CSC(=C1)C2=CC=C(O2)C(=O)O
InChI
InChI=1S/C9H6O3S/c10-9(11)7-4-3-6(12-7)8-2-1-5-13-8/h1-5H,(H,10,11)
InChIKey
SEMSHKUODWSZFI-UHFFFAOYSA-N
Compound name
5-thiophen-2-ylfuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

194.00377 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.01105 138.4
[M+Na]+ 216.99299 149.2
[M-H]- 192.99649 146.4
[M+NH4]+ 212.03759 160.3
[M+K]+ 232.96693 147.8
[M+H-H2O]+ 177.00103 134.1
[M+HCOO]- 239.00197 160.0
[M+CH3COO]- 253.01762 175.5
[M+Na-2H]- 214.97844 140.5
[M]+ 194.00322 143.4
[M]- 194.00432 143.4
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