CID 8893249

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

194.00377 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.011046 138.4
[M+Na]+ 216.992988 149.2
[M-H]- 192.996494 146.4
[M+NH4]+ 212.037593 160.3
[M+K]+ 232.966928 147.8
[M+H-H2O]+ 177.001030 134.1
[M+HCOO]- 239.001971 160.0
[M+CH3COO]- 253.017621 175.5
[M+Na-2H]- 214.978436 140.5
[M]+ 194.00322142 143.4
[M]- 194.00431858 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