CID 88853985

1197953-49-3

Structural Information

Molecular Formula

C₁₂H₁₂Cl₂N₃OP

SMILES

CP(=O)(C)C1=CC=CC=C1NC2=NC(=NC=C2Cl)Cl

InChI

InChI=1S/C12H12Cl2N3OP/c1-19(2,18)10-6-4-3-5-9(10)16-11-8(13)7-15-12(14)17-11/h3-7H,1-2H3,(H,15,16,17)

InChIKey

XIKUAKVCJMVXCI-UHFFFAOYSA-N

Compound name

2,5-dichloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 227
Patents: 315.0095 Da
Monoisotopic Mass: 3.2
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]+	316.01678	167.9
[M+Na]+	337.99872	183.2
[M+NH4]+	333.04332	175.3
[M+K]+	353.97266	175.5
[M-H]-	314.00222	170.8
[M+Na-2H]-	335.98417	176.4
[M]+	315.00895	171.5
[M]-	315.01005	171.5

Literature stripe

literature stripe

Patent stripe

patents stripe