CID 43805463

2-(4-bromo-2-chlorophenyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C10H11BrClN
SMILES
C1CC(NC1)C2=C(C=C(C=C2)Br)Cl
InChI
InChI=1S/C10H11BrClN/c11-7-3-4-8(9(12)6-7)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2
InChIKey
YHDGUUIWUXQBQS-UHFFFAOYSA-N
Compound name
2-(4-bromo-2-chlorophenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.97635 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.98363 153.0
[M+Na]+ 281.96557 156.9
[M+NH4]+ 277.01017 158.8
[M+K]+ 297.93951 156.5
[M-H]- 257.96907 154.7
[M+Na-2H]- 279.95102 156.6
[M]+ 258.97580 153.1
[M]- 258.97690 153.1
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.