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

83
Patents

153.02261 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.029886 121.6
[M+Na]+ 176.011828 134.2
[M-H]- 152.015334 124.2
[M+NH4]+ 171.056433 142.9
[M+K]+ 191.985768 131.9
[M+H-H2O]+ 136.019870 115.6
[M+HCOO]- 198.020811 144.9
[M+CH3COO]- 212.036461 137.1
[M+Na-2H]- 173.997276 131.0
[M]+ 153.02206142 123.0
[M]- 153.02315858 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