CID 213787

1-allyl-2-((3,4-dichlorophenyl)imino)pyrrolidine

Structural Information

Molecular Formula
C13H14Cl2N2
SMILES
C=CCN1CCCC1=NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H14Cl2N2/c1-2-7-17-8-3-4-13(17)16-10-5-6-11(14)12(15)9-10/h2,5-6,9H,1,3-4,7-8H2
InChIKey
YHWRSRGDHUYLIV-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)-1-prop-2-enylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.0534 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.06068 162.7
[M+Na]+ 291.04262 171.7
[M-H]- 267.04612 168.1
[M+NH4]+ 286.08722 181.4
[M+K]+ 307.01656 164.7
[M+H-H2O]+ 251.05066 155.7
[M+HCOO]- 313.05160 176.8
[M+CH3COO]- 327.06725 198.9
[M+Na-2H]- 289.02807 163.6
[M]+ 268.05285 163.5
[M]- 268.05395 163.5
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.