CID 3088275

Brn 4191988

Structural Information

Molecular Formula
C10H9Cl2N3O
SMILES
CN1C(=NN(C1=O)C)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C10H9Cl2N3O/c1-14-9(13-15(2)10(14)16)6-3-4-7(11)8(12)5-6/h3-5H,1-2H3
InChIKey
DDHKIJYSDNGYFV-UHFFFAOYSA-N
Compound name
5-(3,4-dichlorophenyl)-2,4-dimethyl-1,2,4-triazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

257.01227 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.01955 151.4
[M+Na]+ 280.00149 165.3
[M-H]- 256.00499 154.6
[M+NH4]+ 275.04609 168.1
[M+K]+ 295.97543 159.1
[M+H-H2O]+ 240.00953 143.8
[M+HCOO]- 302.01047 164.0
[M+CH3COO]- 316.02612 164.5
[M+Na-2H]- 277.98694 153.6
[M]+ 257.01172 156.5
[M]- 257.01282 156.5
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

No patent data available for this compound.