CID 43622203

1153093-46-9

Structural Information

Molecular Formula
C9H7ClN4
SMILES
CC1=CC(=NC(=N1)C2=NC=CC=N2)Cl
InChI
InChI=1S/C9H7ClN4/c1-6-5-7(10)14-9(13-6)8-11-3-2-4-12-8/h2-5H,1H3
InChIKey
AQRZLGUVRPSCRO-UHFFFAOYSA-N
Compound name
4-chloro-6-methyl-2-pyrimidin-2-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.03592 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.04320 141.4
[M+Na]+ 229.02514 152.8
[M-H]- 205.02864 142.8
[M+NH4]+ 224.06974 155.7
[M+K]+ 244.99908 147.4
[M+H-H2O]+ 189.03318 131.8
[M+HCOO]- 251.03412 157.0
[M+CH3COO]- 265.04977 153.9
[M+Na-2H]- 227.01059 150.3
[M]+ 206.03537 143.2
[M]- 206.03647 143.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.