CID 2736797

88149-49-9

Structural Information

Molecular Formula

C₇H₄Br₂F₃NO

SMILES

C1=C(C=C(C(=C1Br)N)Br)OC(F)(F)F

InChI

InChI=1S/C7H4Br2F3NO/c8-4-1-3(14-7(10,11)12)2-5(9)6(4)13/h1-2H,13H2

InChIKey

JBSWOEGXMADXOU-UHFFFAOYSA-N

Compound name

2,6-dibromo-4-(trifluoromethoxy)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 105
Patents: 332.86118 Da
Monoisotopic Mass: 3.8
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]+	333.86846	153.4
[M+Na]+	355.85040	165.1
[M-H]-	331.85390	157.0
[M+NH4]+	350.89500	171.0
[M+K]+	371.82434	148.5
[M+H-H2O]+	315.85844	158.5
[M+HCOO]-	377.85938	166.7
[M+CH3COO]-	391.87503	208.7
[M+Na-2H]-	353.83585	158.1
[M]+	332.86063	183.3
[M]-	332.86173	183.3

Literature stripe

literature stripe

Patent stripe

patents stripe