CID 20822456

1155594-91-4

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

15
Patents

192.02028 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.02756 136.4
[M+Na]+ 215.00950 147.3
[M-H]- 191.01300 137.5
[M+NH4]+ 210.05410 150.9
[M+K]+ 230.98344 142.1
[M+H-H2O]+ 175.01754 126.8
[M+HCOO]- 237.01848 152.4
[M+CH3COO]- 251.03413 149.0
[M+Na-2H]- 212.99495 146.6
[M]+ 192.01973 137.4
[M]- 192.02083 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