CID 3055972

73213-83-9

Structural Information

Molecular Formula
C10H7N5
SMILES
C1=CC=C(C=C1)C2=NC3=NN=CN3N=C2
InChI
InChI=1S/C10H7N5/c1-2-4-8(5-3-1)9-6-12-15-7-11-14-10(15)13-9/h1-7H
InChIKey
WEOOKQIZNCGFEI-UHFFFAOYSA-N
Compound name
7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

197.07014 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.077416 140.4
[M+Na]+ 220.059358 152.3
[M-H]- 196.062864 142.1
[M+NH4]+ 215.103963 155.5
[M+K]+ 236.033298 147.3
[M+H-H2O]+ 180.067400 130.0
[M+HCOO]- 242.068341 161.2
[M+CH3COO]- 256.083991 153.3
[M+Na-2H]- 218.044806 150.8
[M]+ 197.06959142 141.9
[M]- 197.07068858 141.9
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