CID 79016254

2-(4-bromo-3-fluorophenyl)azetidine hydrochloride

Structural Information

Molecular Formula
C9H9BrFN
SMILES
C1CNC1C2=CC(=C(C=C2)Br)F
InChI
InChI=1S/C9H9BrFN/c10-7-2-1-6(5-8(7)11)9-3-4-12-9/h1-2,5,9,12H,3-4H2
InChIKey
FNTXIKHJCBTXGM-UHFFFAOYSA-N
Compound name
2-(4-bromo-3-fluorophenyl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.99023 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.997506 133.1
[M+Na]+ 251.979448 143.8
[M-H]- 227.982954 138.6
[M+NH4]+ 247.024053 147.3
[M+K]+ 267.953388 134.9
[M+H-H2O]+ 211.987490 127.7
[M+HCOO]- 273.988431 150.3
[M+CH3COO]- 288.004081 188.0
[M+Na-2H]- 249.964896 140.2
[M]+ 228.98968142 155.2
[M]- 228.99077858 155.2
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.