CID 213777

Brn 1539720

Structural Information

Molecular Formula
C13H16BrFN2
SMILES
CCCN1CCCC1=NC2=C(C=C(C=C2)F)Br
InChI
InChI=1S/C13H16BrFN2/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
NCLXSNWNZGLRGS-UHFFFAOYSA-N
Compound name
N-(2-bromo-4-fluorophenyl)-1-propylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.0481 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.05538 162.8
[M+Na]+ 321.03732 173.6
[M-H]- 297.04082 170.5
[M+NH4]+ 316.08192 182.9
[M+K]+ 337.01126 161.5
[M+H-H2O]+ 281.04536 160.2
[M+HCOO]- 343.04630 183.3
[M+CH3COO]- 357.06195 203.3
[M+Na-2H]- 319.02277 165.8
[M]+ 298.04755 179.1
[M]- 298.04865 179.1
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.