CID 287208

13451-79-1

Structural Information

Molecular Formula
C7H4FNO2
SMILES
C1=CC2=C(C=C1F)NC(=O)O2
InChI
InChI=1S/C7H4FNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
InChIKey
KXMRAGBOYTUYGL-UHFFFAOYSA-N
Compound name
5-fluoro-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

153.02261 Da
Monoisotopic Mass

1.3
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

literature stripe

Patent stripe

patents stripe