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

6
Patents

215.99695 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.004226 140.1
[M+Na]+ 238.986168 154.3
[M-H]- 214.989674 139.3
[M+NH4]+ 234.030773 157.9
[M+K]+ 254.960108 148.7
[M+H-H2O]+ 198.994210 132.2
[M+HCOO]- 260.995151 151.7
[M+CH3COO]- 275.010801 153.2
[M+Na-2H]- 236.971616 146.8
[M]+ 215.99640142 145.6
[M]- 215.99749858 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