CID 1204294

2-(4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl)-n,n-dimethylethenamine

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]+ 382.89528 182.4
[M+Na]+ 404.87722 188.7
[M-H]- 380.88072 176.1
[M+NH4]+ 399.92182 190.1
[M+K]+ 420.85116 185.2
[M+H-H2O]+ 364.88526 175.1
[M+HCOO]- 426.88620 169.4
[M+CH3COO]- 440.90185 217.9
[M+Na-2H]- 402.86267 181.3
[M]+ 381.88745 179.0
[M]- 381.88855 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.