CID 5889

Dibenz[a,h]anthracene

Structural Information

Molecular Formula

C₂₂H₁₄

SMILES

C1=CC=C2C(=C1)C=CC3=CC4=C(C=CC5=CC=CC=C54)C=C32

InChI

InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1-14H

InChIKey

LHRCREOYAASXPZ-UHFFFAOYSA-N

Compound name

naphtho[1,2-b]phenanthrene

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 298
References: 4270
Patents: 278.10956 Da
Monoisotopic Mass: 6.5
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]+	279.11684	161.7
[M+Na]+	301.09878	173.3
[M-H]-	277.10228	169.5
[M+NH4]+	296.14338	181.5
[M+K]+	317.07272	165.0
[M+H-H2O]+	261.10682	152.5
[M+HCOO]-	323.10776	183.1
[M+CH3COO]-	337.12341	174.5
[M+Na-2H]-	299.08423	174.3
[M]+	278.10901	164.1
[M]-	278.11011	164.1

Literature stripe

literature stripe

Patent stripe

patents stripe