CID 83720852

3-(4-bromo-3-fluorophenyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C10H11BrFN
SMILES
C1CNCC1C2=CC(=C(C=C2)Br)F
InChI
InChI=1S/C10H11BrFN/c11-9-2-1-7(5-10(9)12)8-3-4-13-6-8/h1-2,5,8,13H,3-4,6H2
InChIKey
CDMSGISMEVQHQE-UHFFFAOYSA-N
Compound name
3-(4-bromo-3-fluorophenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

243.00589 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.013166 148.6
[M+Na]+ 265.995108 159.6
[M-H]- 241.998614 154.0
[M+NH4]+ 261.039713 169.6
[M+K]+ 281.969048 147.4
[M+H-H2O]+ 226.003150 147.6
[M+HCOO]- 288.004091 166.2
[M+CH3COO]- 302.019741 162.5
[M+Na-2H]- 263.980556 152.6
[M]+ 243.00534142 161.6
[M]- 243.00643858 161.6
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

patents stripe