CID 13491837

5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C5H2Cl2N4
SMILES
C1=C(N2C(=NC=N2)N=C1Cl)Cl
InChI
InChI=1S/C5H2Cl2N4/c6-3-1-4(7)11-5(10-3)8-2-9-11/h1-2H
InChIKey
LQKFTGMXROMIGG-UHFFFAOYSA-N
Compound name
5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

187.96565 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.97293 130.4
[M+Na]+ 210.95487 147.0
[M+NH4]+ 205.99947 139.1
[M+K]+ 226.92881 141.2
[M-H]- 186.95837 130.8
[M+Na-2H]- 208.94032 138.3
[M]+ 187.96510 133.4
[M]- 187.96620 133.4
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