CID 3039739

Pyrrolidine, 2-((3-bromo-4-fluorophenyl)imino)-1-butyl-

Structural Information

Molecular Formula
C14H18BrFN2
SMILES
CCCCN1CCCC1=NC2=CC(=C(C=C2)F)Br
InChI
InChI=1S/C14H18BrFN2/c1-2-3-8-18-9-4-5-14(18)17-11-6-7-13(16)12(15)10-11/h6-7,10H,2-5,8-9H2,1H3
InChIKey
HIKLMXQCGLJRDO-UHFFFAOYSA-N
Compound name
N-(3-bromo-4-fluorophenyl)-1-butylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.06375 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.07103 167.4
[M+Na]+ 335.05297 177.7
[M-H]- 311.05647 174.9
[M+NH4]+ 330.09757 186.9
[M+K]+ 351.02691 165.4
[M+H-H2O]+ 295.06101 164.6
[M+HCOO]- 357.06195 187.6
[M+CH3COO]- 371.07760 206.1
[M+Na-2H]- 333.03842 169.8
[M]+ 312.06320 184.0
[M]- 312.06430 184.0
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.