CID 3039758

Brn 1479461

Structural Information

Molecular Formula
C15H17Cl3N2
SMILES
CC/C(=C/N1CCCC1=NC2=CC(=C(C=C2Cl)Cl)Cl)/C
InChI
InChI=1S/C15H17Cl3N2/c1-3-10(2)9-20-6-4-5-15(20)19-14-8-12(17)11(16)7-13(14)18/h7-9H,3-6H2,1-2H3/b10-9+,19-15?
InChIKey
ZJOJNMPZMCLCLY-BIQQGQDOSA-N
Compound name
1-[(E)-2-methylbut-1-enyl]-N-(2,4,5-trichlorophenyl)pyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.04575 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.05303 179.3
[M+Na]+ 353.03497 187.9
[M-H]- 329.03847 183.4
[M+NH4]+ 348.07957 195.6
[M+K]+ 369.00891 180.2
[M+H-H2O]+ 313.04301 172.6
[M+HCOO]- 375.04395 186.1
[M+CH3COO]- 389.05960 210.8
[M+Na-2H]- 351.02042 176.1
[M]+ 330.04520 180.6
[M]- 330.04630 180.6
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.