CID 22002

Brn 1533782

Structural Information

Molecular Formula

C₁₄H₁₄ClNO

SMILES

C1CCC2=C(CC1)NC3=C(C2=O)C=CC=C3Cl

InChI

InChI=1S/C14H14ClNO/c15-11-7-4-6-10-13(11)16-12-8-3-1-2-5-9(12)14(10)17/h4,6-7H,1-3,5,8H2,(H,16,17)

InChIKey

ZYAPKWOHKRMBQA-UHFFFAOYSA-N

Compound name

4-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 247.07639 Da
Monoisotopic Mass: 3.9
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]+	248.083666	150.1
[M+Na]+	270.065608	159.3
[M-H]-	246.069114	153.9
[M+NH4]+	265.110213	167.9
[M+K]+	286.039548	156.6
[M+H-H2O]+	230.073650	144.8
[M+HCOO]-	292.074591	163.0
[M+CH3COO]-	306.090241	161.7
[M+Na-2H]-	268.051056	156.7
[M]+	247.07584142	146.3
[M]-	247.07693858	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.