CID 3054505

71347-53-0

Structural Information

Molecular Formula
C11H8ClN5
SMILES
CC1=NN=C2N1N=CC(=N2)C3=CC=CC=C3Cl
InChI
InChI=1S/C11H8ClN5/c1-7-15-16-11-14-10(6-13-17(7)11)8-4-2-3-5-9(8)12/h2-6H,1H3
InChIKey
UCZAKWKTMHRJRB-UHFFFAOYSA-N
Compound name
7-(2-chlorophenyl)-3-methyl-[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

245.04683 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.05411 150.8
[M+Na]+ 268.03605 169.0
[M+NH4]+ 263.08065 158.9
[M+K]+ 284.00999 162.5
[M-H]- 244.03955 153.3
[M+Na-2H]- 266.02150 160.6
[M]+ 245.04628 154.5
[M]- 245.04738 154.5
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