CID 68169234

1-[3-(1h-1,2,4-triazol-1-yl)phenyl]-1h-1,2,4-triazole

Structural Information

Molecular Formula
C10H8N6
SMILES
C1=CC(=CC(=C1)N2C=NC=N2)N3C=NC=N3
InChI
InChI=1S/C10H8N6/c1-2-9(15-7-11-5-13-15)4-10(3-1)16-8-12-6-14-16/h1-8H
InChIKey
WXNXRKYXCCDJHI-UHFFFAOYSA-N
Compound name
1-[3-(1,2,4-triazol-1-yl)phenyl]-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

212.08104 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.088316 142.3
[M+Na]+ 235.070258 153.8
[M-H]- 211.073764 145.5
[M+NH4]+ 230.114863 155.8
[M+K]+ 251.044198 149.4
[M+H-H2O]+ 195.078300 130.9
[M+HCOO]- 257.079241 164.0
[M+CH3COO]- 271.094891 154.9
[M+Na-2H]- 233.055706 148.8
[M]+ 212.08049142 143.8
[M]- 212.08158858 143.8
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