CID 213794

Brn 1535259

Structural Information

Molecular Formula
C13H13Cl3N2
SMILES
C=CCN1CCCC1=NC2=CC(=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C13H13Cl3N2/c1-2-5-18-6-3-4-13(18)17-12-8-10(15)9(14)7-11(12)16/h2,7-8H,1,3-6H2
InChIKey
FAXHDMSNTBXRJW-UHFFFAOYSA-N
Compound name
1-prop-2-enyl-N-(2,4,5-trichlorophenyl)pyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.01443 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.02171 170.8
[M+Na]+ 325.00365 180.4
[M-H]- 301.00715 175.0
[M+NH4]+ 320.04825 188.1
[M+K]+ 340.97759 172.7
[M+H-H2O]+ 285.01169 164.2
[M+HCOO]- 347.01263 179.1
[M+CH3COO]- 361.02828 205.0
[M+Na-2H]- 322.98910 169.7
[M]+ 302.01388 171.9
[M]- 302.01498 171.9
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.