CID 995

Phenanthrene

Structural Information

Molecular Formula

C₁₄H₁₀

SMILES

C1=CC=C2C(=C1)C=CC3=CC=CC=C32

InChI

InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H

InChIKey

YNPNZTXNASCQKK-UHFFFAOYSA-N

Compound name

phenanthrene

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 3669
References: 110627
Patents: 178.07825 Da
Monoisotopic Mass: 4.5
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]+	179.085526	133.6
[M+Na]+	201.067468	143.8
[M-H]-	177.070974	139.6
[M+NH4]+	196.112073	156.0
[M+K]+	217.041408	138.8
[M+H-H2O]+	161.075510	127.3
[M+HCOO]-	223.076451	157.7
[M+CH3COO]-	237.092101	148.3
[M+Na-2H]-	199.052916	146.0
[M]+	178.07770142	134.5
[M]-	178.07879858	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe