CID 473032

6-(4-fluorobenzoyl)-3h-1,3-benzoxazol-2-one

Structural Information

Molecular Formula
C14H8FNO3
SMILES
C1=CC(=CC=C1C(=O)C2=CC3=C(C=C2)NC(=O)O3)F
InChI
InChI=1S/C14H8FNO3/c15-10-4-1-8(2-5-10)13(17)9-3-6-11-12(7-9)19-14(18)16-11/h1-7H,(H,16,18)
InChIKey
JBMLVEIOJBUCBK-UHFFFAOYSA-N
Compound name
6-(4-fluorobenzoyl)-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

257.04883 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.05611 151.4
[M+Na]+ 280.03805 163.0
[M-H]- 256.04155 157.3
[M+NH4]+ 275.08265 167.9
[M+K]+ 296.01199 158.9
[M+H-H2O]+ 240.04609 143.6
[M+HCOO]- 302.04703 173.0
[M+CH3COO]- 316.06268 164.9
[M+Na-2H]- 278.02350 157.2
[M]+ 257.04828 153.3
[M]- 257.04938 153.3
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

No patent data available for this compound.