CID 14880523

22178-90-1

Structural Information

Molecular Formula

C₁₁H₁₂ClNO₂

SMILES

CC1=CC2=C(C=C1)OCCN2C(=O)CCl

InChI

InChI=1S/C11H12ClNO2/c1-8-2-3-10-9(6-8)13(4-5-15-10)11(14)7-12/h2-3,6H,4-5,7H2,1H3

InChIKey

IPMHFKFXPGKGKB-UHFFFAOYSA-N

Compound name

2-chloro-1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 225.05565 Da
Monoisotopic Mass: 2.0
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]+	226.06293	146.3
[M+Na]+	248.04487	155.0
[M-H]-	224.04837	149.8
[M+NH4]+	243.08947	164.0
[M+K]+	264.01881	152.2
[M+H-H2O]+	208.05291	140.2
[M+HCOO]-	270.05385	160.0
[M+CH3COO]-	284.06950	187.6
[M+Na-2H]-	246.03032	152.4
[M]+	225.05510	148.2
[M]-	225.05620	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe