CID 218304

40452-19-5

Structural Information

Molecular Formula

C₁₇H₁₄O₂

SMILES

CC(C1=CC2=CC=CC=C2C3=CC=CC=C31)C(=O)O

InChI

InChI=1S/C17H14O2/c1-11(17(18)19)16-10-12-6-2-3-7-13(12)14-8-4-5-9-15(14)16/h2-11H,1H3,(H,18,19)

InChIKey

KDSPHRIFRARIST-UHFFFAOYSA-N

Compound name

2-phenanthren-9-ylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 250.09938 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]+	251.10666	154.5
[M+Na]+	273.08860	163.2
[M-H]-	249.09210	159.0
[M+NH4]+	268.13320	173.0
[M+K]+	289.06254	158.4
[M+H-H2O]+	233.09664	147.8
[M+HCOO]-	295.09758	174.5
[M+CH3COO]-	309.11323	166.9
[M+Na-2H]-	271.07405	161.5
[M]+	250.09883	155.9
[M]-	250.09993	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe