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]+ 213.08832 142.3
[M+Na]+ 235.07026 153.8
[M-H]- 211.07376 145.5
[M+NH4]+ 230.11486 155.8
[M+K]+ 251.04420 149.4
[M+H-H2O]+ 195.07830 130.9
[M+HCOO]- 257.07924 164.0
[M+CH3COO]- 271.09489 154.9
[M+Na-2H]- 233.05571 148.8
[M]+ 212.08049 143.8
[M]- 212.08159 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