CID 688120

2-bromo-4,5,6-trifluoroaniline

Structural Information

Molecular Formula

C₆H₃BrF₃N

SMILES

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

InChI

InChI=1S/C6H3BrF3N/c7-2-1-3(8)4(9)5(10)6(2)11/h1H,11H2

InChIKey

AKJNEERVRJOBPD-UHFFFAOYSA-N

Compound name

6-bromo-2,3,4-trifluoroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 224.9401 Da
Monoisotopic Mass: 2.2
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]+	225.94738	136.0
[M+Na]+	247.92932	150.3
[M-H]-	223.93282	139.2
[M+NH4]+	242.97392	157.9
[M+K]+	263.90326	138.0
[M+H-H2O]+	207.93736	133.8
[M+HCOO]-	269.93830	156.0
[M+CH3COO]-	283.95395	189.4
[M+Na-2H]-	245.91477	141.0
[M]+	224.93955	149.5
[M]-	224.94065	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe