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]+ 285.091996 168.0
[M+Na]+ 307.073938 176.2
[M-H]- 283.077444 173.2
[M+NH4]+ 302.118543 186.1
[M+K]+ 323.047878 169.7
[M+H-H2O]+ 267.081980 160.7
[M+HCOO]- 329.082921 181.6
[M+CH3COO]- 343.098571 202.7
[M+Na-2H]- 305.059386 168.4
[M]+ 284.08417142 169.9
[M]- 284.08526858 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.