CID 105487428

2408959-38-4

Structural Information

Molecular Formula
C9H9BrFN
SMILES
C1C(CN1)(C2=CC=CC=C2Br)F
InChI
InChI=1S/C9H9BrFN/c10-8-4-2-1-3-7(8)9(11)5-12-6-9/h1-4,12H,5-6H2
InChIKey
MUNAWVDDBGDKFM-UHFFFAOYSA-N
Compound name
3-(2-bromophenyl)-3-fluoroazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.99023 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.99751 133.4
[M+Na]+ 251.97945 144.1
[M-H]- 227.98295 139.1
[M+NH4]+ 247.02405 149.2
[M+K]+ 267.95339 135.4
[M+H-H2O]+ 211.98749 129.0
[M+HCOO]- 273.98843 150.7
[M+CH3COO]- 288.00408 186.6
[M+Na-2H]- 249.96490 142.1
[M]+ 228.98968 155.6
[M]- 228.99078 155.6
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

No patent data available for this compound.