CID 182151

33948-22-0

Structural Information

Molecular Formula

C₁₅H₁₀ClNO

SMILES

C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)Cl

InChI

InChI=1S/C15H10ClNO/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H

InChIKey

APJYHXJGXDPGBA-UHFFFAOYSA-N

Compound name

benzo[b][1]benzazepine-11-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 95
Patents: 255.04509 Da
Monoisotopic Mass: 4.1
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]+	256.05237	151.0
[M+Na]+	278.03431	165.8
[M+NH4]+	273.07891	160.4
[M+K]+	294.00825	158.5
[M-H]-	254.03781	154.5
[M+Na-2H]-	276.01976	159.2
[M]+	255.04454	154.7
[M]-	255.04564	154.7

Literature stripe

literature stripe

Patent stripe

patents stripe