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: 8
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]+	252.94704	144.4
[M+Na]+	274.92898	156.1
[M-H]-	250.93248	147.1
[M+NH4]+	269.97358	165.0
[M+K]+	290.90292	144.9
[M+H-H2O]+	234.93702	142.3
[M+HCOO]-	296.93796	162.1
[M+CH3COO]-	310.95361	190.0
[M+Na-2H]-	272.91443	148.8
[M]+	251.93921	158.8
[M]-	251.94031	158.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe