CID 11822077

4-(6-fluoro-2,4-dioxo-1,3-benzoxazin-3-yl)benzonitrile

Structural Information

Molecular Formula
C15H7FN2O3
SMILES
C1=CC(=CC=C1C#N)N2C(=O)C3=C(C=CC(=C3)F)OC2=O
InChI
InChI=1S/C15H7FN2O3/c16-10-3-6-13-12(7-10)14(19)18(15(20)21-13)11-4-1-9(8-17)2-5-11/h1-7H
InChIKey
HZDFXKIIMMSNKK-UHFFFAOYSA-N
Compound name
4-(6-fluoro-2,4-dioxo-1,3-benzoxazin-3-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.04407 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.05135 161.6
[M+Na]+ 305.03329 176.0
[M-H]- 281.03679 166.4
[M+NH4]+ 300.07789 174.3
[M+K]+ 321.00723 169.8
[M+H-H2O]+ 265.04133 145.8
[M+HCOO]- 327.04227 179.2
[M+CH3COO]- 341.05792 172.9
[M+Na-2H]- 303.01874 167.4
[M]+ 282.04352 158.7
[M]- 282.04462 158.7
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.