CID 242872

2,6-dibromo-4-fluoroaniline

Structural Information

Molecular Formula

C₆H₄Br₂FN

SMILES

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

InChI

InChI=1S/C6H4Br2FN/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,10H2

InChIKey

VHPLZFGCNLDYQH-UHFFFAOYSA-N

Compound name

2,6-dibromo-4-fluoroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 358
Patents: 266.86945 Da
Monoisotopic Mass: 2.7
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]+	267.87673	134.8
[M+Na]+	289.85867	146.8
[M-H]-	265.86217	140.6
[M+NH4]+	284.90327	154.7
[M+K]+	305.83261	130.5
[M+H-H2O]+	249.86671	141.7
[M+HCOO]-	311.86765	151.3
[M+CH3COO]-	325.88330	200.9
[M+Na-2H]-	287.84412	141.4
[M]+	266.86890	166.1
[M]-	266.87000	166.1

Literature stripe

literature stripe

Patent stripe

patents stripe