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]+ 198.01972 132.1
[M+Na]+ 220.00166 144.4
[M-H]- 196.00516 133.7
[M+NH4]+ 215.04626 150.8
[M+K]+ 235.97560 141.9
[M+H-H2O]+ 180.00970 126.2
[M+HCOO]- 242.01064 153.0
[M+CH3COO]- 256.02629 176.9
[M+Na-2H]- 217.98711 138.6
[M]+ 197.01189 134.0
[M]- 197.01299 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.