CID 135554432

Mn-1695.2-oh

Structural Information

Molecular Formula
C9H6Cl2N4O
SMILES
C1=CC(=C(C=C1Cl)C2=NC(=NC(=O)N2)N)Cl
InChI
InChI=1S/C9H6Cl2N4O/c10-4-1-2-6(11)5(3-4)7-13-8(12)15-9(16)14-7/h1-3H,(H3,12,13,14,15,16)
InChIKey
LIUAWCQCHQAWLT-UHFFFAOYSA-N
Compound name
4-amino-6-(2,5-dichlorophenyl)-1H-1,3,5-triazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 150.6
[M+Na]+ 278.98109 167.0
[M+NH4]+ 274.02569 157.9
[M+K]+ 294.95503 159.7
[M-H]- 254.98459 153.1
[M+Na-2H]- 276.96654 159.1
[M]+ 255.99132 154.2
[M]- 255.99242 154.2
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.