CID 17054

Hexachloromelamine

Structural Information

Molecular Formula
C3Cl6N6
SMILES
C1(=NC(=NC(=N1)N(Cl)Cl)N(Cl)Cl)N(Cl)Cl
InChI
InChI=1S/C3Cl6N6/c4-13(5)1-10-2(14(6)7)12-3(11-1)15(8)9
InChIKey
VCBRTBDPBXCBOR-UHFFFAOYSA-N
Compound name
2-N,2-N,4-N,4-N,6-N,6-N-hexachloro-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

195
Patents

329.83157 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.83885 162.9
[M+Na]+ 352.82079 169.1
[M-H]- 328.82429 158.6
[M+NH4]+ 347.86539 172.4
[M+K]+ 368.79473 168.8
[M+H-H2O]+ 312.82883 155.9
[M+HCOO]- 374.82977 156.8
[M+CH3COO]- 388.84542 218.7
[M+Na-2H]- 350.80624 163.1
[M]+ 329.83102 160.9
[M]- 329.83212 160.9
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.