CID 3054502

1,2,4-triazolo(4,3-b)(1,2,4)triazine, 7-(4-chlorophenyl)-3-methyl-

Structural Information

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

3
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 152.1
[M+Na]+ 268.03605 165.9
[M-H]- 244.03955 153.9
[M+NH4]+ 263.08065 166.5
[M+K]+ 284.00999 159.1
[M+H-H2O]+ 228.04409 141.7
[M+HCOO]- 290.04503 167.6
[M+CH3COO]- 304.06068 164.5
[M+Na-2H]- 266.02150 159.7
[M]+ 245.04628 156.4
[M]- 245.04738 156.4
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