CID 90019476

2411641-52-4

Structural Information

Molecular Formula

C₅H₄BrFN₂

SMILES

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

InChI

InChI=1S/C5H4BrFN2/c6-3-1-5(7)9-2-4(3)8/h1-2H,8H2

InChIKey

VPRZCSBHKVURPR-UHFFFAOYSA-N

Compound name

4-bromo-6-fluoropyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 189.9542 Da
Monoisotopic Mass: 1.3
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]+	190.96148	131.2
[M+Na]+	212.94342	134.4
[M+NH4]+	207.98802	135.9
[M+K]+	228.91736	134.5
[M-H]-	188.94692	130.9
[M+Na-2H]-	210.92887	135.0
[M]+	189.95365	130.3
[M]-	189.95475	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe