CID 3157098

763109-71-3

Structural Information

Molecular Formula
C8H5NO3S
SMILES
C1=CSC(=C1)C2=CC(=NO2)C(=O)O
InChI
InChI=1S/C8H5NO3S/c10-8(11)5-4-6(12-9-5)7-2-1-3-13-7/h1-4H,(H,10,11)
InChIKey
OBTRHBQUXRJHJR-UHFFFAOYSA-N
Compound name
5-thiophen-2-yl-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

95
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

literature stripe

Patent stripe

patents stripe