CID 145114

86845-35-4

Structural Information

Molecular Formula

C₁₅H₁₀F₆

SMILES

C1=CC(=CC(=C1)C(F)(F)F)CC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C15H10F6/c16-14(17,18)12-5-1-3-10(8-12)7-11-4-2-6-13(9-11)15(19,20)21/h1-6,8-9H,7H2

InChIKey

GXGZHSTYPHZGGN-UHFFFAOYSA-N

Compound name

1-(trifluoromethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 55
Patents: 304.06866 Da
Monoisotopic Mass: 5.8
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]+	305.07594	176.5
[M+Na]+	327.05788	183.4
[M+NH4]+	322.10248	179.6
[M+K]+	343.03182	177.6
[M-H]-	303.06138	172.2
[M+Na-2H]-	325.04333	179.5
[M]+	304.06811	176.1
[M]-	304.06921	176.1

Literature stripe

literature stripe

Patent stripe

patents stripe