CID 621931

1095-77-8

Structural Information

Molecular Formula

C₁₇H₁₄F₆

SMILES

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H14F6/c1-11-3-7-13(8-4-11)15(16(18,19)20,17(21,22)23)14-9-5-12(2)6-10-14/h3-10H,1-2H3

InChIKey

OWEIAGSMFHSSES-UHFFFAOYSA-N

Compound name

1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1108
Patents: 332.09998 Da
Monoisotopic Mass: 6.6
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]+	333.10726	171.6
[M+Na]+	355.08920	180.7
[M-H]-	331.09270	170.9
[M+NH4]+	350.13380	185.5
[M+K]+	371.06314	174.8
[M+H-H2O]+	315.09724	159.8
[M+HCOO]-	377.09818	183.5
[M+CH3COO]-	391.11383	210.1
[M+Na-2H]-	353.07465	175.1
[M]+	332.09943	163.5
[M]-	332.10053	163.5

Literature stripe

literature stripe

Patent stripe

patents stripe