CID 3011882

2-(2-fluorophenyl)benzo[h][3,1]benzoxazin-4-one

Structural Information

Molecular Formula
C18H10FNO2
SMILES
C1=CC=C2C(=C1)C=CC3=C2N=C(OC3=O)C4=CC=CC=C4F
InChI
InChI=1S/C18H10FNO2/c19-15-8-4-3-7-13(15)17-20-16-12-6-2-1-5-11(12)9-10-14(16)18(21)22-17/h1-10H
InChIKey
ZBNXBSIEEJQVJF-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)benzo[h][3,1]benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.06955 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.07683 163.9
[M+Na]+ 314.05877 176.6
[M-H]- 290.06227 171.5
[M+NH4]+ 309.10337 178.8
[M+K]+ 330.03271 171.1
[M+H-H2O]+ 274.06681 153.4
[M+HCOO]- 336.06775 184.7
[M+CH3COO]- 350.08340 176.8
[M+Na-2H]- 312.04422 173.6
[M]+ 291.06900 166.7
[M]- 291.07010 166.7
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.