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]+ 198.07742 140.4
[M+Na]+ 220.05936 152.3
[M-H]- 196.06286 142.1
[M+NH4]+ 215.10396 155.5
[M+K]+ 236.03330 147.3
[M+H-H2O]+ 180.06740 130.0
[M+HCOO]- 242.06834 161.2
[M+CH3COO]- 256.08399 153.3
[M+Na-2H]- 218.04481 150.8
[M]+ 197.06959 141.9
[M]- 197.07069 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