CID 49949595

5-(thiophen-3-yl)isoxazole-3-carboxylic acid

Structural Information

Molecular Formula
C8H5NO3S
SMILES
C1=CSC=C1C2=CC(=NO2)C(=O)O
InChI
InChI=1S/C8H5NO3S/c10-8(11)6-3-7(12-9-6)5-1-2-13-4-5/h1-4H,(H,10,11)
InChIKey
MJIFKVKUYBJCCP-UHFFFAOYSA-N
Compound name
5-thiophen-3-yl-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

194.99901 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.00629 138.1
[M+Na]+ 217.98823 149.8
[M+NH4]+ 213.03283 146.0
[M+K]+ 233.96217 147.1
[M-H]- 193.99173 141.0
[M+Na-2H]- 215.97368 143.7
[M]+ 194.99846 140.9
[M]- 194.99956 140.9
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