CID 213774

Brn 1539721

Structural Information

Molecular Formula
C13H16BrClN2
SMILES
CCCN1CCCC1=NC2=C(C=C(C=C2)Cl)Br
InChI
InChI=1S/C13H16BrClN2/c1-2-7-17-8-3-4-13(17)16-12-6-5-10(15)9-11(12)14/h5-6,9H,2-4,7-8H2,1H3
InChIKey
PIEAZUXRGKLQGR-UHFFFAOYSA-N
Compound name
N-(2-bromo-4-chlorophenyl)-1-propylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.01855 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.02583 166.0
[M+Na]+ 337.00777 177.8
[M-H]- 313.01127 174.7
[M+NH4]+ 332.05237 186.4
[M+K]+ 352.98171 164.1
[M+H-H2O]+ 297.01581 164.7
[M+HCOO]- 359.01675 183.0
[M+CH3COO]- 373.03240 204.3
[M+Na-2H]- 334.99322 169.1
[M]+ 314.01800 185.1
[M]- 314.01910 185.1
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.