CID 53403624

2-(4-bromo-3-fluorophenyl)pyrrolidine

Structural Information

Molecular Formula
C10H11BrFN
SMILES
C1CC(NC1)C2=CC(=C(C=C2)Br)F
InChI
InChI=1S/C10H11BrFN/c11-8-4-3-7(6-9(8)12)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2
InChIKey
YYYARIDAUPMDGY-UHFFFAOYSA-N
Compound name
2-(4-bromo-3-fluorophenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

243.00589 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.01317 148.6
[M+Na]+ 265.99511 159.6
[M-H]- 241.99861 154.0
[M+NH4]+ 261.03971 169.6
[M+K]+ 281.96905 147.4
[M+H-H2O]+ 226.00315 147.6
[M+HCOO]- 288.00409 166.2
[M+CH3COO]- 302.01974 162.5
[M+Na-2H]- 263.98056 152.6
[M]+ 243.00534 161.6
[M]- 243.00644 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