CID 93354

65072-48-2

Structural Information

Molecular Formula

C₉H₄Cl₂F₆O

SMILES

C1=CC(=C(C=C1C(C(F)(F)F)(C(F)(F)F)O)Cl)Cl

InChI

InChI=1S/C9H4Cl2F6O/c10-5-2-1-4(3-6(5)11)7(18,8(12,13)14)9(15,16)17/h1-3,18H

InChIKey

JCCWOKZXPBZZBV-UHFFFAOYSA-N

Compound name

2-(3,4-dichlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 311.95435 Da
Monoisotopic Mass: 4.4
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]+	312.96163	171.9
[M+Na]+	334.94357	177.1
[M+NH4]+	329.98817	174.1
[M+K]+	350.91751	173.3
[M-H]-	310.94707	164.8
[M+Na-2H]-	332.92902	172.4
[M]+	311.95380	170.7
[M]-	311.95490	170.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe