CID 3011877

2-(2-fluorophenyl)-8-methoxy-3,1-benzoxazin-4-one

Structural Information

Molecular Formula
C15H10FNO3
SMILES
COC1=CC=CC2=C1N=C(OC2=O)C3=CC=CC=C3F
InChI
InChI=1S/C15H10FNO3/c1-19-12-8-4-6-10-13(12)17-14(20-15(10)18)9-5-2-3-7-11(9)16/h2-8H,1H3
InChIKey
DAZDUJCAVSQBTN-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)-8-methoxy-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

15
Patents

271.06448 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.07176 157.3
[M+Na]+ 294.05370 168.9
[M-H]- 270.05720 164.0
[M+NH4]+ 289.09830 172.3
[M+K]+ 310.02764 165.6
[M+H-H2O]+ 254.06174 147.7
[M+HCOO]- 316.06268 178.5
[M+CH3COO]- 330.07833 170.5
[M+Na-2H]- 292.03915 165.1
[M]+ 271.06393 160.6
[M]- 271.06503 160.6
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.