CID 3039759

Brn 1489480

Structural Information

Molecular Formula
C15H18BrClN2
SMILES
CC/C(=C/N1CCCC1=NC2=C(C=C(C=C2)Br)Cl)/C
InChI
InChI=1S/C15H18BrClN2/c1-3-11(2)10-19-8-4-5-15(19)18-14-7-6-12(16)9-13(14)17/h6-7,9-10H,3-5,8H2,1-2H3/b11-10+,18-15?
InChIKey
GQUPLEKJRVPVDO-OKKAIMOHSA-N
Compound name
N-(4-bromo-2-chlorophenyl)-1-[(E)-2-methylbut-1-enyl]pyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.03418 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.04146 174.5
[M+Na]+ 363.02340 185.5
[M-H]- 339.02690 183.1
[M+NH4]+ 358.06800 193.8
[M+K]+ 378.99734 171.3
[M+H-H2O]+ 323.03144 173.1
[M+HCOO]- 385.03238 190.1
[M+CH3COO]- 399.04803 209.2
[M+Na-2H]- 361.00885 175.5
[M]+ 340.03363 193.0
[M]- 340.03473 193.0
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.