CID 135685723

1218-69-5

Structural Information

Molecular Formula
C14H9NO3
SMILES
C1=CC=C(C(=C1)C2=NC(=O)C3=CC=CC=C3O2)O
InChI
InChI=1S/C14H9NO3/c16-11-7-3-1-5-9(11)14-15-13(17)10-6-2-4-8-12(10)18-14/h1-8,16H
InChIKey
NSWIROGSZPXREF-UHFFFAOYSA-N
Compound name
2-(2-hydroxyphenyl)-1,3-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

137
Patents

239.05824 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06552 149.3
[M+Na]+ 262.04746 160.0
[M-H]- 238.05096 155.9
[M+NH4]+ 257.09206 164.7
[M+K]+ 278.02140 156.5
[M+H-H2O]+ 222.05550 141.2
[M+HCOO]- 284.05644 170.5
[M+CH3COO]- 298.07209 162.6
[M+Na-2H]- 260.03291 158.6
[M]+ 239.05769 151.1
[M]- 239.05879 151.1
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