CID 43144460

7-chloro-3-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine

Structural Information

Molecular Formula
C11H7ClN4
SMILES
C1=CC=C(C=C1)C2=NN=C3N2C=NC(=C3)Cl
InChI
InChI=1S/C11H7ClN4/c12-9-6-10-14-15-11(16(10)7-13-9)8-4-2-1-3-5-8/h1-7H
InChIKey
IIPKMOYEGNSODC-UHFFFAOYSA-N
Compound name
7-chloro-3-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

230.03592 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.04320 146.6
[M+Na]+ 253.02514 159.5
[M-H]- 229.02864 149.4
[M+NH4]+ 248.06974 162.8
[M+K]+ 268.99908 153.1
[M+H-H2O]+ 213.03318 136.8
[M+HCOO]- 275.03412 163.6
[M+CH3COO]- 289.04977 159.6
[M+Na-2H]- 251.01059 155.2
[M]+ 230.03537 150.2
[M]- 230.03647 150.2
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

No patent data available for this compound.