CID 10219766

1027888-79-4

Structural Information

Molecular Formula

C₈H₇F₃O₂

SMILES

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

InChI

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

InChIKey

WULGVCJGJHHILR-UHFFFAOYSA-N

Compound name

2-methoxy-4-(trifluoromethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 192.03981 Da
Monoisotopic Mass: 1.8
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]+	193.04709	133.6
[M+Na]+	215.02903	143.5
[M-H]-	191.03253	132.8
[M+NH4]+	210.07363	153.0
[M+K]+	231.00297	141.1
[M+H-H2O]+	175.03707	126.3
[M+HCOO]-	237.03801	152.7
[M+CH3COO]-	251.05366	180.0
[M+Na-2H]-	213.01448	139.4
[M]+	192.03926	130.8
[M]-	192.04036	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe