CID 473060

6-[(2-fluorophenyl)methyl]-3h-1,3-benzoxazol-2-one

Structural Information

Molecular Formula
C14H10FNO2
SMILES
C1=CC=C(C(=C1)CC2=CC3=C(C=C2)NC(=O)O3)F
InChI
InChI=1S/C14H10FNO2/c15-11-4-2-1-3-10(11)7-9-5-6-12-13(8-9)18-14(17)16-12/h1-6,8H,7H2,(H,16,17)
InChIKey
NJVXIQYMXLXBSR-UHFFFAOYSA-N
Compound name
6-[(2-fluorophenyl)methyl]-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

243.06955 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.07683 149.0
[M+Na]+ 266.05877 160.9
[M-H]- 242.06227 154.7
[M+NH4]+ 261.10337 166.4
[M+K]+ 282.03271 156.1
[M+H-H2O]+ 226.06681 141.2
[M+HCOO]- 288.06775 171.3
[M+CH3COO]- 302.08340 162.7
[M+Na-2H]- 264.04422 155.8
[M]+ 243.06900 150.7
[M]- 243.07010 150.7
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

No patent data available for this compound.