CID 53407707

3-(4-bromophenyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C10H12BrN
SMILES
C1CNCC1C2=CC=C(C=C2)Br
InChI
InChI=1S/C10H12BrN/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-4,9,12H,5-7H2
InChIKey
HXTSCISDZDBQEK-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

174
Patents

225.0153 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02258 145.1
[M+Na]+ 248.00452 155.2
[M-H]- 224.00802 151.5
[M+NH4]+ 243.04912 166.6
[M+K]+ 263.97846 143.6
[M+H-H2O]+ 208.01256 144.9
[M+HCOO]- 270.01350 163.8
[M+CH3COO]- 284.02915 159.3
[M+Na-2H]- 245.98997 150.5
[M]+ 225.01475 158.8
[M]- 225.01585 158.8
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

patents stripe