CID 7541

Anilazine

Structural Information

Molecular Formula
C9H5Cl3N4
SMILES
C1=CC=C(C(=C1)NC2=NC(=NC(=N2)Cl)Cl)Cl
InChI
InChI=1S/C9H5Cl3N4/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H,13,14,15,16)
InChIKey
IMHBYKMAHXWHRP-UHFFFAOYSA-N
Compound name
4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

13
References

78742
Patents

273.95798 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.965256 151.8
[M+Na]+ 296.947198 163.0
[M-H]- 272.950704 152.6
[M+NH4]+ 291.991803 165.0
[M+K]+ 312.921138 156.3
[M+H-H2O]+ 256.955240 143.6
[M+HCOO]- 318.956181 159.0
[M+CH3COO]- 332.971831 162.7
[M+Na-2H]- 294.932646 158.2
[M]+ 273.95743142 153.9
[M]- 273.95852858 153.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe