CID 2736422

4-bromo-2-(trifluoromethoxy)iodobenzene

Structural Information

Molecular Formula

C₇H₃BrF₃IO

SMILES

C1=CC(=C(C=C1Br)OC(F)(F)F)I

InChI

InChI=1S/C7H3BrF3IO/c8-4-1-2-5(12)6(3-4)13-7(9,10)11/h1-3H

InChIKey

IGWVTCXEZVURNB-UHFFFAOYSA-N

Compound name

4-bromo-1-iodo-2-(trifluoromethoxy)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 180
Patents: 365.8364 Da
Monoisotopic Mass: 4.4
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]+	366.84368	152.9
[M+Na]+	388.82562	159.3
[M-H]-	364.82912	149.5
[M+NH4]+	383.87022	169.0
[M+K]+	404.79956	154.1
[M+H-H2O]+	348.83366	147.7
[M+HCOO]-	410.83460	166.3
[M+CH3COO]-	424.85025	198.1
[M+Na-2H]-	386.81107	148.3
[M]+	365.83585	165.4
[M]-	365.83695	165.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe