CID 112563452

2470439-67-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.07031 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07759 137.1
[M+Na]+ 192.05953 144.4
[M+NH4]+ 187.10413 142.4
[M+K]+ 208.03347 137.8
[M-H]- 168.06303 134.9
[M+Na-2H]- 190.04498 142.7
[M]+ 169.06976 136.4
[M]- 169.07086 136.4
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.