CID 216556

Brn 1482811

Structural Information

Molecular Formula
C14H15Cl3N2
SMILES
CC(=CN1CCCC1=NC2=C(C=C(C=C2Cl)Cl)Cl)C
InChI
InChI=1S/C14H15Cl3N2/c1-9(2)8-19-5-3-4-13(19)18-14-11(16)6-10(15)7-12(14)17/h6-8H,3-5H2,1-2H3
InChIKey
MLPARAXPPNIMJC-UHFFFAOYSA-N
Compound name
1-(2-methylprop-1-enyl)-N-(2,4,6-trichlorophenyl)pyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0301 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.03738 174.8
[M+Na]+ 339.01932 183.8
[M-H]- 315.02282 179.1
[M+NH4]+ 334.06392 191.7
[M+K]+ 354.99326 176.4
[M+H-H2O]+ 299.02736 168.3
[M+HCOO]- 361.02830 181.9
[M+CH3COO]- 375.04395 208.0
[M+Na-2H]- 337.00477 172.1
[M]+ 316.02955 175.8
[M]- 316.03065 175.8
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.