CID 13019083

7-chloro-2-(chloromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C7H6Cl2N4
SMILES
CC1=NC2=NC(=NN2C(=C1)Cl)CCl
InChI
InChI=1S/C7H6Cl2N4/c1-4-2-5(9)13-7(10-4)11-6(3-8)12-13/h2H,3H2,1H3
InChIKey
ZVOYKKFXDAPPRX-UHFFFAOYSA-N
Compound name
7-chloro-2-(chloromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

215.99695 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.00423 140.1
[M+Na]+ 238.98617 154.3
[M-H]- 214.98967 139.3
[M+NH4]+ 234.03077 157.9
[M+K]+ 254.96011 148.7
[M+H-H2O]+ 198.99421 132.2
[M+HCOO]- 260.99515 151.7
[M+CH3COO]- 275.01080 153.2
[M+Na-2H]- 236.97162 146.8
[M]+ 215.99640 145.6
[M]- 215.99750 145.6
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