CID 16773845

2-(furan-2-amido)thiophene-3-carboxylic acid

Structural Information

Molecular Formula
C10H7NO4S
SMILES
C1=COC(=C1)C(=O)NC2=C(C=CS2)C(=O)O
InChI
InChI=1S/C10H7NO4S/c12-8(7-2-1-4-15-7)11-9-6(10(13)14)3-5-16-9/h1-5H,(H,11,12)(H,13,14)
InChIKey
JJFBVNZFVVCZPM-UHFFFAOYSA-N
Compound name
2-(furan-2-carbonylamino)thiophene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.00958 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.01686 150.5
[M+Na]+ 259.99880 159.5
[M-H]- 236.00230 158.2
[M+NH4]+ 255.04340 169.9
[M+K]+ 275.97274 158.1
[M+H-H2O]+ 220.00684 145.3
[M+HCOO]- 282.00778 172.0
[M+CH3COO]- 296.02343 185.0
[M+Na-2H]- 257.98425 151.8
[M]+ 237.00903 155.0
[M]- 237.01013 155.0
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.