CID 520425

2928-17-8

Structural Information

Molecular Formula

C₁₀H₁₃FO

SMILES

CC(C)(CC1=CC=C(C=C1)F)O

InChI

InChI=1S/C10H13FO/c1-10(2,12)7-8-3-5-9(11)6-4-8/h3-6,12H,7H2,1-2H3

InChIKey

DWRIANGNJXQAAT-UHFFFAOYSA-N

Compound name

1-(4-fluorophenyl)-2-methylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 168.09505 Da
Monoisotopic Mass: 2.3
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]+	169.10233	134.4
[M+Na]+	191.08427	142.5
[M-H]-	167.08777	135.7
[M+NH4]+	186.12887	154.7
[M+K]+	207.05821	139.9
[M+H-H2O]+	151.09231	128.8
[M+HCOO]-	213.09325	154.8
[M+CH3COO]-	227.10890	177.9
[M+Na-2H]-	189.06972	141.0
[M]+	168.09450	133.0
[M]-	168.09560	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe