CID 96564

53348-04-2

Structural Information

Molecular Formula

C₁₄H₁₂N₂

SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3C(=C2N)N

InChI

InChI=1S/C14H12N2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H,15-16H2

InChIKey

VPRFQZSTJXHBHL-UHFFFAOYSA-N

Compound name

phenanthrene-9,10-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 988
Patents: 208.10005 Da
Monoisotopic Mass: 3.1
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]+	209.10733	142.1
[M+Na]+	231.08927	152.6
[M-H]-	207.09277	147.7
[M+NH4]+	226.13387	162.7
[M+K]+	247.06321	147.0
[M+H-H2O]+	191.09731	135.7
[M+HCOO]-	253.09825	167.0
[M+CH3COO]-	267.11390	155.9
[M+Na-2H]-	229.07472	151.9
[M]+	208.09950	140.8
[M]-	208.10060	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe