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]+ 240.008986 146.1
[M+Na]+ 261.990928 158.1
[M-H]- 237.994434 148.3
[M+NH4]+ 257.035533 161.2
[M+K]+ 277.964868 151.7
[M+H-H2O]+ 221.998970 137.7
[M+HCOO]- 283.999911 157.6
[M+CH3COO]- 298.015561 158.5
[M+Na-2H]- 259.976376 152.8
[M]+ 239.00116142 149.2
[M]- 239.00225858 149.2
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

patents stripe