CID 213768

Brn 1542610

Structural Information

Molecular Formula
C14H18Cl2N2
SMILES
CCCCN1CCCC1=NC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H18Cl2N2/c1-2-3-8-18-9-4-5-14(18)17-13-7-6-11(15)10-12(13)16/h6-7,10H,2-5,8-9H2,1H3
InChIKey
IIFAQTAFPTZJDP-UHFFFAOYSA-N
Compound name
1-butyl-N-(2,4-dichlorophenyl)pyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.08472 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.09200 168.0
[M+Na]+ 307.07394 176.2
[M-H]- 283.07744 173.2
[M+NH4]+ 302.11854 186.1
[M+K]+ 323.04788 169.7
[M+H-H2O]+ 267.08198 160.7
[M+HCOO]- 329.08292 181.6
[M+CH3COO]- 343.09857 202.7
[M+Na-2H]- 305.05939 168.4
[M]+ 284.08417 169.9
[M]- 284.08527 169.9
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.