CID 6444998

2,6-dichloro-n-(1-(3-chloro-2-propenyl)-2-pyrrolidinylidene)benzenamine

Structural Information

Molecular Formula
C13H13Cl3N2
SMILES
C1CC(=NC2=C(C=CC=C2Cl)Cl)N(C1)C/C=C/Cl
InChI
InChI=1S/C13H13Cl3N2/c14-7-3-9-18-8-2-6-12(18)17-13-10(15)4-1-5-11(13)16/h1,3-5,7H,2,6,8-9H2/b7-3+,17-12?
InChIKey
VINUHXUGMRYAFK-HAJJKWBBSA-N
Compound name
1-[(E)-3-chloroprop-2-enyl]-N-(2,6-dichlorophenyl)pyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.01443 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.02171 171.2
[M+Na]+ 325.00365 180.0
[M-H]- 301.00715 175.1
[M+NH4]+ 320.04825 188.3
[M+K]+ 340.97759 172.3
[M+H-H2O]+ 285.01169 164.2
[M+HCOO]- 347.01263 179.5
[M+CH3COO]- 361.02828 203.3
[M+Na-2H]- 322.98910 170.6
[M]+ 302.01388 171.8
[M]- 302.01498 171.8
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.