CID 11054934

(perfluoropropyl)phenylmethanol

Structural Information

Molecular Formula

C₁₀H₇F₇O

SMILES

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

InChI

InChI=1S/C10H7F7O/c11-8(12,9(13,14)10(15,16)17)7(18)6-4-2-1-3-5-6/h1-5,7,18H

InChIKey

RFRUXTGWFVPKQB-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,4-heptafluoro-1-phenylbutan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 12
Patents: 276.0385 Da
Monoisotopic Mass: 3.5
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]+	277.04578	151.1
[M+Na]+	299.02772	159.1
[M-H]-	275.03122	144.5
[M+NH4]+	294.07232	166.0
[M+K]+	315.00166	155.3
[M+H-H2O]+	259.03576	140.5
[M+HCOO]-	321.03670	160.7
[M+CH3COO]-	335.05235	195.3
[M+Na-2H]-	297.01317	155.1
[M]+	276.03795	139.6
[M]-	276.03905	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe