CID 3906446

2-(5-bromo-2-chlorophenyl)pyrrolidine

Structural Information

Molecular Formula
C10H11BrClN
SMILES
C1CC(NC1)C2=C(C=CC(=C2)Br)Cl
InChI
InChI=1S/C10H11BrClN/c11-7-3-4-9(12)8(6-7)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2
InChIKey
HWGOBFOHCBTYIR-UHFFFAOYSA-N
Compound name
2-(5-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 150.9
[M+Na]+ 281.96557 162.8
[M-H]- 257.96907 157.3
[M+NH4]+ 277.01017 172.2
[M+K]+ 297.93951 149.1
[M+H-H2O]+ 241.97361 151.2
[M+HCOO]- 303.97455 165.0
[M+CH3COO]- 317.99020 165.0
[M+Na-2H]- 279.95102 155.1
[M]+ 258.97580 166.6
[M]- 258.97690 166.6
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.