CID 6444995

Pyrrolidine, 2-((3-chloro-4-methylphenyl)imino)-1-(3-chloro-2-propenyl)-

Structural Information

Molecular Formula
C14H16Cl2N2
SMILES
CC1=C(C=C(C=C1)N=C2CCCN2C/C=C/Cl)Cl
InChI
InChI=1S/C14H16Cl2N2/c1-11-5-6-12(10-13(11)16)17-14-4-2-8-18(14)9-3-7-15/h3,5-7,10H,2,4,8-9H2,1H3/b7-3+,17-14?
InChIKey
DQWKFBXRSOWNRQ-QTGLWHKESA-N
Compound name
N-(3-chloro-4-methylphenyl)-1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.06906 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.07634 167.6
[M+Na]+ 305.05828 176.2
[M-H]- 281.06178 172.8
[M+NH4]+ 300.10288 185.7
[M+K]+ 321.03222 169.0
[M+H-H2O]+ 265.06632 160.3
[M+HCOO]- 327.06726 181.3
[M+CH3COO]- 341.08291 201.2
[M+Na-2H]- 303.04373 167.9
[M]+ 282.06851 168.6
[M]- 282.06961 168.6
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.