CID 9651573

(4,6-dimethyl-pyrimidin-2-yl)-(2,2,2-trichloro-ethylidene)-amine

Structural Information

Molecular Formula
C8H8Cl3N3
SMILES
CC1=CC(=NC(=N1)/N=C/C(Cl)(Cl)Cl)C
InChI
InChI=1S/C8H8Cl3N3/c1-5-3-6(2)14-7(13-5)12-4-8(9,10)11/h3-4H,1-2H3/b12-4+
InChIKey
UIZRYRAPSCFONI-UUILKARUSA-N
Compound name
(E)-2,2,2-trichloro-N-(4,6-dimethylpyrimidin-2-yl)ethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.97838 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.98566 151.3
[M+Na]+ 273.96760 161.9
[M-H]- 249.97110 151.9
[M+NH4]+ 269.01220 167.8
[M+K]+ 289.94154 156.6
[M+H-H2O]+ 233.97564 145.3
[M+HCOO]- 295.97658 158.9
[M+CH3COO]- 309.99223 195.3
[M+Na-2H]- 271.95305 157.1
[M]+ 250.97783 154.6
[M]- 250.97893 154.6
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.