CID 45090556

590422-12-1

Structural Information

Molecular Formula
C7H4FNO2
SMILES
C1=CC2=C(C(=C1)F)NC(=O)O2
InChI
InChI=1S/C7H4FNO2/c8-4-2-1-3-5-6(4)9-7(10)11-5/h1-3H,(H,9,10)
InChIKey
DLNMLICVXVLIKO-UHFFFAOYSA-N
Compound name
4-fluoro-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

153.02261 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.02989 124.8
[M+Na]+ 176.01183 138.5
[M+NH4]+ 171.05643 132.9
[M+K]+ 191.98577 134.7
[M-H]- 152.01533 125.9
[M+Na-2H]- 173.99728 130.7
[M]+ 153.02206 126.9
[M]- 153.02316 126.9
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