CID 213786

Brn 1535902

Structural Information

Molecular Formula
C12H14Cl2N2
SMILES
CCN1CCCC1=NC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H14Cl2N2/c1-2-16-7-3-4-12(16)15-11-6-5-9(13)8-10(11)14/h5-6,8H,2-4,7H2,1H3
InChIKey
ZSCWORFOVFSUFK-UHFFFAOYSA-N
Compound name
N-(2,4-dichlorophenyl)-1-ethylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.0534 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.060676 158.8
[M+Na]+ 279.042618 167.9
[M-H]- 255.046124 164.4
[M+NH4]+ 274.087223 178.1
[M+K]+ 295.016558 161.9
[M+H-H2O]+ 239.050660 151.9
[M+HCOO]- 301.051601 173.1
[M+CH3COO]- 315.067251 196.8
[M+Na-2H]- 277.028066 160.3
[M]+ 256.05285142 160.0
[M]- 256.05394858 160.0
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.