CID 84014720

1553181-67-1

Structural Information

Molecular Formula
C8H4FNO4
SMILES
C1=C(C=C(C2=C1NC(=O)O2)F)C(=O)O
InChI
InChI=1S/C8H4FNO4/c9-4-1-3(7(11)12)2-5-6(4)14-8(13)10-5/h1-2H,(H,10,13)(H,11,12)
InChIKey
MLBJKYLWZSOWQR-UHFFFAOYSA-N
Compound name
7-fluoro-2-oxo-3H-1,3-benzoxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.01244 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.019716 132.1
[M+Na]+ 220.001658 144.4
[M-H]- 196.005164 133.7
[M+NH4]+ 215.046263 150.8
[M+K]+ 235.975598 141.9
[M+H-H2O]+ 180.009700 126.2
[M+HCOO]- 242.010641 153.0
[M+CH3COO]- 256.026291 176.9
[M+Na-2H]- 217.987106 138.6
[M]+ 197.01189142 134.0
[M]- 197.01298858 134.0
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.