CID 12057467

10198-77-3

Structural Information

Molecular Formula
C10H7Cl2N3
SMILES
CC1=C(N=C(N=C1Cl)C2=CC=CC=N2)Cl
InChI
InChI=1S/C10H7Cl2N3/c1-6-8(11)14-10(15-9(6)12)7-4-2-3-5-13-7/h2-5H,1H3
InChIKey
GKQVGLLABJUKGW-UHFFFAOYSA-N
Compound name
4,6-dichloro-5-methyl-2-pyridin-2-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

239.00171 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.00899 148.1
[M+Na]+ 261.99093 166.5
[M+NH4]+ 257.03553 157.1
[M+K]+ 277.96487 157.3
[M-H]- 237.99443 151.7
[M+Na-2H]- 259.97638 158.6
[M]+ 239.00116 152.6
[M]- 239.00226 152.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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