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
5
Annotation Hits

0
References

1771
Patents

227.94847 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.95575 140.4
[M+Na]+ 250.93769 150.0
[M-H]- 226.94119 138.5
[M+NH4]+ 245.98229 154.8
[M+K]+ 266.91163 145.2
[M+H-H2O]+ 210.94573 133.7
[M+HCOO]- 272.94667 150.3
[M+CH3COO]- 286.96232 192.5
[M+Na-2H]- 248.92314 148.6
[M]+ 227.94792 140.6
[M]- 227.94902 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