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 121.6
[M+Na]+ 176.01183 134.2
[M-H]- 152.01533 124.2
[M+NH4]+ 171.05643 142.9
[M+K]+ 191.98577 131.9
[M+H-H2O]+ 136.01987 115.6
[M+HCOO]- 198.02081 144.9
[M+CH3COO]- 212.03646 137.1
[M+Na-2H]- 173.99728 131.0
[M]+ 153.02206 123.0
[M]- 153.02316 123.0
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

patents stripe