CID 23395147

1420977-70-3

Structural Information

Molecular Formula

C₁₁H₁₀F₆O

SMILES

CCCOC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C11H10F6O/c1-2-3-18-9-5-7(10(12,13)14)4-8(6-9)11(15,16)17/h4-6H,2-3H2,1H3

InChIKey

MQAXEOKVHDKGBQ-UHFFFAOYSA-N

Compound name

1-propoxy-3,5-bis(trifluoromethyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 272.0636 Da
Monoisotopic Mass: 4.6
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]+	273.07088	153.3
[M+Na]+	295.05282	163.1
[M-H]-	271.05632	149.7
[M+NH4]+	290.09742	170.0
[M+K]+	311.02676	159.5
[M+H-H2O]+	255.06086	143.0
[M+HCOO]-	317.06180	167.7
[M+CH3COO]-	331.07745	198.2
[M+Na-2H]-	293.03827	156.8
[M]+	272.06305	147.4
[M]-	272.06415	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe