CID 213778

Brn 1537807

Structural Information

Molecular Formula
C13H14BrClN2
SMILES
C=CCN1CCCC1=NC2=C(C=C(C=C2)Cl)Br
InChI
InChI=1S/C13H14BrClN2/c1-2-7-17-8-3-4-13(17)16-12-6-5-10(15)9-11(12)14/h2,5-6,9H,1,3-4,7-8H2
InChIKey
CLLPSRBXDZESQF-UHFFFAOYSA-N
Compound name
N-(2-bromo-4-chlorophenyl)-1-prop-2-enylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.0029 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.01018 164.8
[M+Na]+ 334.99212 176.8
[M-H]- 310.99562 173.6
[M+NH4]+ 330.03672 185.2
[M+K]+ 350.96606 162.7
[M+H-H2O]+ 295.00016 163.6
[M+HCOO]- 357.00110 182.0
[M+CH3COO]- 371.01675 203.5
[M+Na-2H]- 332.97757 168.0
[M]+ 312.00235 183.3
[M]- 312.00345 183.3
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.