CID 504598

2-amino-7-(3-fluorophenyl)-3,1-benzoxazin-4-one

Structural Information

Molecular Formula
C14H9FN2O2
SMILES
C1=CC(=CC(=C1)F)C2=CC3=C(C=C2)C(=O)OC(=N3)N
InChI
InChI=1S/C14H9FN2O2/c15-10-3-1-2-8(6-10)9-4-5-11-12(7-9)17-14(16)19-13(11)18/h1-7H,(H2,16,17)
InChIKey
CQJWYJCGSVSVMU-UHFFFAOYSA-N
Compound name
2-amino-7-(3-fluorophenyl)-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.06482 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.07210 154.7
[M+Na]+ 279.05404 166.1
[M-H]- 255.05754 161.1
[M+NH4]+ 274.09864 169.8
[M+K]+ 295.02798 161.9
[M+H-H2O]+ 239.06208 145.3
[M+HCOO]- 301.06302 176.5
[M+CH3COO]- 315.07867 167.7
[M+Na-2H]- 277.03949 162.4
[M]+ 256.06427 154.7
[M]- 256.06537 154.7
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.