CID 3070103

85826-38-6

Structural Information

Molecular Formula

C₈H₁₀Br₂ClN₃

SMILES

CC1=NC(=C(C(=N1)Cl)CC(CBr)Br)N

InChI

InChI=1S/C8H10Br2ClN3/c1-4-13-7(11)6(8(12)14-4)2-5(10)3-9/h5H,2-3H2,1H3,(H2,12,13,14)

InChIKey

NCWOCIBSHJRJAJ-UHFFFAOYSA-N

Compound name

6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 340.893 Da
Monoisotopic Mass: 3.1
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]+	341.90028	145.5
[M+Na]+	363.88222	157.6
[M-H]-	339.88572	150.0
[M+NH4]+	358.92682	162.0
[M+K]+	379.85616	139.7
[M+H-H2O]+	323.89026	152.5
[M+HCOO]-	385.89120	156.2
[M+CH3COO]-	399.90685	210.9
[M+Na-2H]-	361.86767	151.2
[M]+	340.89245	180.1
[M]-	340.89355	180.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.