CID 46737653

3-chloro-5-(trifluoromethoxy)phenol

Structural Information

Molecular Formula

C₇H₄ClF₃O₂

SMILES

C1=C(C=C(C=C1OC(F)(F)F)Cl)O

InChI

InChI=1S/C7H4ClF3O2/c8-4-1-5(12)3-6(2-4)13-7(9,10)11/h1-3,12H

InChIKey

GDQVMGRMDBOXLX-UHFFFAOYSA-N

Compound name

3-chloro-5-(trifluoromethoxy)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 211.9852 Da
Monoisotopic Mass: 3.4
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]+	212.99248	139.9
[M+Na]+	234.97442	150.1
[M+NH4]+	230.01902	145.8
[M+K]+	250.94836	145.1
[M-H]-	210.97792	136.5
[M+Na-2H]-	232.95987	144.3
[M]+	211.98465	140.4
[M]-	211.98575	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe