CID 345097

7494-58-8

Structural Information

Molecular Formula

C₁₆H₁₄O

SMILES

CC(C1=CC2=C(C=CC3=CC=CC=C32)C=C1)O

InChI

InChI=1S/C16H14O/c1-11(17)14-9-8-13-7-6-12-4-2-3-5-15(12)16(13)10-14/h2-11,17H,1H3

InChIKey

ZRWXPMQVCVDLPA-UHFFFAOYSA-N

Compound name

1-phenanthren-3-ylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 222.10446 Da
Monoisotopic Mass: 4.3
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]+	223.111736	147.4
[M+Na]+	245.093678	156.7
[M-H]-	221.097184	152.1
[M+NH4]+	240.138283	167.4
[M+K]+	261.067618	151.6
[M+H-H2O]+	205.101720	141.0
[M+HCOO]-	267.102661	168.4
[M+CH3COO]-	281.118311	160.5
[M+Na-2H]-	243.079126	156.2
[M]+	222.10391142	148.4
[M]-	222.10500858	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe