CID 213790

Brn 1533968

Structural Information

Molecular Formula
C12H14BrClN2
SMILES
CCN1CCCC1=NC2=CC(=C(C=C2)Cl)Br
InChI
InChI=1S/C12H14BrClN2/c1-2-16-7-3-4-12(16)15-9-5-6-11(14)10(13)8-9/h5-6,8H,2-4,7H2,1H3
InChIKey
PUAQUFVINKPDMH-UHFFFAOYSA-N
Compound name
N-(3-bromo-4-chlorophenyl)-1-ethylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.0029 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.01018 161.4
[M+Na]+ 322.99212 173.6
[M-H]- 298.99562 170.3
[M+NH4]+ 318.03672 182.3
[M+K]+ 338.96606 160.2
[M+H-H2O]+ 283.00016 160.3
[M+HCOO]- 345.00110 178.7
[M+CH3COO]- 359.01675 201.5
[M+Na-2H]- 320.97757 165.1
[M]+ 300.00235 180.2
[M]- 300.00345 180.2
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.