CID 55283267

2-(3,5-difluorophenyl)azetidine

Structural Information

Molecular Formula
C9H9F2N
SMILES
C1CNC1C2=CC(=CC(=C2)F)F
InChI
InChI=1S/C9H9F2N/c10-7-3-6(4-8(11)5-7)9-1-2-12-9/h3-5,9,12H,1-2H2
InChIKey
MRVUQBYSZWTLLA-UHFFFAOYSA-N
Compound name
2-(3,5-difluorophenyl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

169.07031 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07759 137.4
[M+Na]+ 192.05953 144.8
[M+NH4]+ 187.10413 141.3
[M+K]+ 208.03347 140.0
[M-H]- 168.06303 135.2
[M+Na-2H]- 190.04498 141.3
[M]+ 169.06976 136.5
[M]- 169.07086 136.5
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