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

literature stripe

Patent stripe

patents stripe