CID 1204294

83256-21-7

Structural Information

Molecular Formula
C9H8Cl6N4
SMILES
CN(C)/C=C/C1=NC(=NC(=N1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
InChI
InChI=1S/C9H8Cl6N4/c1-19(2)4-3-5-16-6(8(10,11)12)18-7(17-5)9(13,14)15/h3-4H,1-2H3/b4-3+
InChIKey
SUDPVYHCXGUVMJ-ONEGZZNKSA-N
Compound name
(E)-2-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-N,N-dimethylethenamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.888 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.895276 182.4
[M+Na]+ 404.877218 188.7
[M-H]- 380.880724 176.1
[M+NH4]+ 399.921823 190.1
[M+K]+ 420.851158 185.2
[M+H-H2O]+ 364.885260 175.1
[M+HCOO]- 426.886201 169.4
[M+CH3COO]- 440.901851 217.9
[M+Na-2H]- 402.862666 181.3
[M]+ 381.88745142 179.0
[M]- 381.88854858 179.0
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.