CID 11815956

4-fluoro-1,2-benzoxazol-3-ol

Structural Information

Molecular Formula
C7H4FNO2
SMILES
C1=CC2=C(C(=C1)F)C(=O)NO2
InChI
InChI=1S/C7H4FNO2/c8-4-2-1-3-5-6(4)7(10)9-11-5/h1-3H,(H,9,10)
InChIKey
LAMXJMFSONZHOP-UHFFFAOYSA-N
Compound name
4-fluoro-1,2-benzoxazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
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

literature stripe

Patent stripe

patents stripe