CID 2724973

710-18-9

Structural Information

Molecular Formula

C₈H₇F₃O₂

SMILES

COC1=CC=C(C=C1)OC(F)(F)F

InChI

InChI=1S/C8H7F3O2/c1-12-6-2-4-7(5-3-6)13-8(9,10)11/h2-5H,1H3

InChIKey

NOAFZIOGGDPYKK-UHFFFAOYSA-N

Compound name

1-methoxy-4-(trifluoromethoxy)benzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 548
Patents: 192.03981 Da
Monoisotopic Mass: 3.2
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]+	193.047086	133.6
[M+Na]+	215.029028	143.0
[M-H]-	191.032534	133.9
[M+NH4]+	210.073633	153.4
[M+K]+	231.002968	141.6
[M+H-H2O]+	175.037070	125.9
[M+HCOO]-	237.038011	154.3
[M+CH3COO]-	251.053661	181.5
[M+Na-2H]-	213.014476	140.6
[M]+	192.03926142	132.3
[M]-	192.04035858	132.3

Literature stripe

literature stripe

Patent stripe

patents stripe