CID 19958560

4-bromo-5-fluorobenzene-1,2-diamine

Structural Information

Molecular Formula

C₆H₆BrFN₂

SMILES

C1=C(C(=CC(=C1F)Br)N)N

InChI

InChI=1S/C6H6BrFN2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,9-10H2

InChIKey

NDXWAQNAHFBGML-UHFFFAOYSA-N

Compound name

4-bromo-5-fluorobenzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 240
Patents: 203.96983 Da
Monoisotopic Mass: 1.4
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]+	204.97711	135.4
[M+Na]+	226.95905	137.7
[M+NH4]+	222.00365	140.1
[M+K]+	242.93299	138.0
[M-H]-	202.96255	136.0
[M+Na-2H]-	224.94450	138.4
[M]+	203.96928	134.5
[M]-	203.97038	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe