CID 202750

13213-94-0

Structural Information

Molecular Formula

C₁₅H₁₂ClNO₂

SMILES

CN1C2=C(C=C(C=C2)Cl)C(OC1=O)C3=CC=CC=C3

InChI

InChI=1S/C15H12ClNO2/c1-17-13-8-7-11(16)9-12(13)14(19-15(17)18)10-5-3-2-4-6-10/h2-9,14H,1H3

InChIKey

MXEYGYIUXHNLIS-UHFFFAOYSA-N

Compound name

6-chloro-1-methyl-4-phenyl-4H-3,1-benzoxazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 273.05566 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	274.062936	159.4
[M+Na]+	296.044878	169.8
[M-H]-	272.048384	166.4
[M+NH4]+	291.089483	175.1
[M+K]+	312.018818	165.1
[M+H-H2O]+	256.052920	151.6
[M+HCOO]-	318.053861	174.0
[M+CH3COO]-	332.069511	171.9
[M+Na-2H]-	294.030326	165.2
[M]+	273.05511142	161.7
[M]-	273.05620858	161.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.