CID 20822456

4-chloro-2-(pyrimidin-2-yl)pyrimidine

Structural Information

Molecular Formula
C8H5ClN4
SMILES
C1=CN=C(N=C1)C2=NC=CC(=N2)Cl
InChI
InChI=1S/C8H5ClN4/c9-6-2-5-12-8(13-6)7-10-3-1-4-11-7/h1-5H
InChIKey
QRHZETUNAWNYEI-UHFFFAOYSA-N
Compound name
4-chloro-2-pyrimidin-2-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

192.02028 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.027556 136.4
[M+Na]+ 215.009498 147.3
[M-H]- 191.013004 137.5
[M+NH4]+ 210.054103 150.9
[M+K]+ 230.983438 142.1
[M+H-H2O]+ 175.017540 126.8
[M+HCOO]- 237.018481 152.4
[M+CH3COO]- 251.034131 149.0
[M+Na-2H]- 212.994946 146.6
[M]+ 192.01973142 137.4
[M]- 192.02082858 137.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe