CID 52307

1-fluorenemethanol

Structural Information

Molecular Formula

C₁₄H₁₂O

SMILES

C1C2=CC=CC=C2C3=CC=CC(=C31)CO

InChI

InChI=1S/C14H12O/c15-9-11-5-3-7-13-12-6-2-1-4-10(12)8-14(11)13/h1-7,15H,8-9H2

InChIKey

OQKYEMHWZYHWBL-UHFFFAOYSA-N

Compound name

9H-fluoren-1-ylmethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1104
Patents: 196.08882 Da
Monoisotopic Mass: 3.7
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]+	197.09610	140.9
[M+Na]+	219.07804	150.5
[M-H]-	195.08154	145.6
[M+NH4]+	214.12264	163.9
[M+K]+	235.05198	145.4
[M+H-H2O]+	179.08608	135.6
[M+HCOO]-	241.08702	163.1
[M+CH3COO]-	255.10267	154.8
[M+Na-2H]-	217.06349	148.2
[M]+	196.08827	141.3
[M]-	196.08937	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe