CID 118579

33948-19-5

Structural Information

Molecular Formula

C₁₅H₁₂ClNO

SMILES

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)Cl

InChI

InChI=1S/C15H12ClNO/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-8H,9-10H2

InChIKey

COHHZMJBMIHLGF-UHFFFAOYSA-N

Compound name

5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 257.06073 Da
Monoisotopic Mass: 4.2
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]+	258.06801	152.1
[M+Na]+	280.04995	166.0
[M+NH4]+	275.09455	161.4
[M+K]+	296.02389	158.9
[M-H]-	256.05345	155.4
[M+Na-2H]-	278.03540	159.4
[M]+	257.06018	155.5
[M]-	257.06128	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe