CID 11500237

888730-46-9

Structural Information

Molecular Formula
C15H12ClNO3
SMILES
C1COC2=CC=CC=C2N1C(=O)C3=CC(=C(C=C3)O)Cl
InChI
InChI=1S/C15H12ClNO3/c16-11-9-10(5-6-13(11)18)15(19)17-7-8-20-14-4-2-1-3-12(14)17/h1-6,9,18H,7-8H2
InChIKey
NKNBVPIUIOUXEO-UHFFFAOYSA-N
Compound name
(3-chloro-4-hydroxyphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

289.05057 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.05785 162.0
[M+Na]+ 312.03979 170.7
[M-H]- 288.04329 167.5
[M+NH4]+ 307.08439 176.0
[M+K]+ 328.01373 166.3
[M+H-H2O]+ 272.04783 154.5
[M+HCOO]- 334.04877 174.4
[M+CH3COO]- 348.06442 173.3
[M+Na-2H]- 310.02524 167.2
[M]+ 289.05002 163.0
[M]- 289.05112 163.0
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

patents stripe