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

126
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

literature stripe

Patent stripe

patents stripe