CID 59710681

260262-38-2

Structural Information

Molecular Formula

C₈H₄BrF₃O

SMILES

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

InChI

InChI=1S/C8H4BrF3O/c9-5-2-1-3-6(4-5)13-8(12)7(10)11/h1-4H

InChIKey

LXYMPCRKNAEUIM-UHFFFAOYSA-N

Compound name

1-bromo-3-(1,2,2-trifluoroethenoxy)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 251.93976 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]+	252.947036	144.4
[M+Na]+	274.928978	156.1
[M-H]-	250.932484	147.1
[M+NH4]+	269.973583	165.0
[M+K]+	290.902918	144.9
[M+H-H2O]+	234.937020	142.3
[M+HCOO]-	296.937961	162.1
[M+CH3COO]-	310.953611	190.0
[M+Na-2H]-	272.914426	148.8
[M]+	251.93921142	158.8
[M]-	251.94030858	158.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe