CID 3055975

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

Structural Information

Molecular Formula
C11H7Cl2N5
SMILES
CC1=NN=C2N1N=CC(=N2)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C11H7Cl2N5/c1-6-16-17-11-15-10(5-14-18(6)11)7-2-3-8(12)9(13)4-7/h2-5H,1H3
InChIKey
HYVMCLMIDWRGIM-UHFFFAOYSA-N
Compound name
7-(3,4-dichlorophenyl)-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

279.00784 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.01512 157.7
[M+Na]+ 301.99706 172.3
[M-H]- 278.00056 158.8
[M+NH4]+ 297.04166 171.3
[M+K]+ 317.97100 164.8
[M+H-H2O]+ 262.00510 147.3
[M+HCOO]- 324.00604 167.7
[M+CH3COO]- 338.02169 169.5
[M+Na-2H]- 299.98251 163.5
[M]+ 279.00729 163.1
[M]- 279.00839 163.1
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