CID 71758240

3-fluoro-3-(2-fluorophenyl)azetidine hydrochloride

Structural Information

Molecular Formula
C9H9F2N
SMILES
C1C(CN1)(C2=CC=CC=C2F)F
InChI
InChI=1S/C9H9F2N/c10-8-4-2-1-3-7(8)9(11)5-12-6-9/h1-4,12H,5-6H2
InChIKey
VPFGEHGRVYWWEK-UHFFFAOYSA-N
Compound name
3-fluoro-3-(2-fluorophenyl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

169.07031 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.077586 132.1
[M+Na]+ 192.059528 139.8
[M-H]- 168.063034 133.8
[M+NH4]+ 187.104133 146.2
[M+K]+ 208.033468 139.1
[M+H-H2O]+ 152.067570 119.9
[M+HCOO]- 214.068511 150.2
[M+CH3COO]- 228.084161 179.1
[M+Na-2H]- 190.044976 138.6
[M]+ 169.06976142 135.0
[M]- 169.07085858 135.0
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