CID 77531

2,4-dichloropyrimidine

Structural Information

Molecular Formula

C₄H₂Cl₂N₂

SMILES

C1=CN=C(N=C1Cl)Cl

InChI

InChI=1S/C4H2Cl2N2/c5-3-1-2-7-4(6)8-3/h1-2H

InChIKey

BTTNYQZNBZNDOR-UHFFFAOYSA-N

Compound name

2,4-dichloropyrimidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 14
References: 13825
Patents: 147.9595 Da
Monoisotopic Mass: 2.1
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]+	148.96678	121.6
[M+Na]+	170.94872	137.7
[M+NH4]+	165.99332	131.2
[M+K]+	186.92266	129.9
[M-H]-	146.95222	123.3
[M+Na-2H]-	168.93417	130.6
[M]+	147.95895	125.0
[M]-	147.96005	125.0

Literature stripe

literature stripe

Patent stripe

patents stripe