CID 135564536

252186-78-0

Structural Information

Molecular Formula
C9H6Cl2N4O
SMILES
C1=CC(=C(C(=C1)Cl)Cl)C2=NN=C(NC2=O)N
InChI
InChI=1S/C9H6Cl2N4O/c10-5-3-1-2-4(6(5)11)7-8(16)13-9(12)15-14-7/h1-3H,(H3,12,13,15,16)
InChIKey
OVNGWOHWYFBGKF-UHFFFAOYSA-N
Compound name
3-amino-6-(2,3-dichlorophenyl)-4H-1,2,4-triazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

255.99187 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.99915 150.3
[M+Na]+ 278.98109 162.6
[M-H]- 254.98459 151.4
[M+NH4]+ 274.02569 163.7
[M+K]+ 294.95503 155.2
[M+H-H2O]+ 238.98913 142.7
[M+HCOO]- 300.99007 161.6
[M+CH3COO]- 315.00572 161.9
[M+Na-2H]- 276.96654 155.7
[M]+ 255.99132 150.8
[M]- 255.99242 150.8
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