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]+ 229.99751 133.1
[M+Na]+ 251.97945 143.8
[M-H]- 227.98295 138.6
[M+NH4]+ 247.02405 147.3
[M+K]+ 267.95339 134.9
[M+H-H2O]+ 211.98749 127.7
[M+HCOO]- 273.98843 150.3
[M+CH3COO]- 288.00408 188.0
[M+Na-2H]- 249.96490 140.2
[M]+ 228.98968 155.2
[M]- 228.99078 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.