CID 24322

Trichloromelamine

Structural Information

Molecular Formula
C3H3Cl3N6
SMILES
C1(=NC(=NC(=N1)NCl)NCl)NCl
InChI
InChI=1S/C3H3Cl3N6/c4-10-1-7-2(11-5)9-3(8-1)12-6/h(H3,7,8,9,10,11,12)
InChIKey
KEPNSIARSTUPGS-UHFFFAOYSA-N
Compound name
2-N,4-N,6-N-trichloro-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

1953
Patents

227.94847 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.955746 140.4
[M+Na]+ 250.937688 150.0
[M-H]- 226.941194 138.5
[M+NH4]+ 245.982293 154.8
[M+K]+ 266.911628 145.2
[M+H-H2O]+ 210.945730 133.7
[M+HCOO]- 272.946671 150.3
[M+CH3COO]- 286.962321 192.5
[M+Na-2H]- 248.923136 148.6
[M]+ 227.94792142 140.6
[M]- 227.94901858 140.6
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