CID 55283447

2-(3,4-difluorophenyl)azetidine

Structural Information

Molecular Formula
C9H9F2N
SMILES
C1CNC1C2=CC(=C(C=C2)F)F
InChI
InChI=1S/C9H9F2N/c10-7-2-1-6(5-8(7)11)9-3-4-12-9/h1-2,5,9,12H,3-4H2
InChIKey
HKVNWGNTUHFFFA-UHFFFAOYSA-N
Compound name
2-(3,4-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 130.4
[M+Na]+ 192.05953 138.1
[M-H]- 168.06303 132.0
[M+NH4]+ 187.10413 142.7
[M+K]+ 208.03347 137.3
[M+H-H2O]+ 152.06757 117.4
[M+HCOO]- 214.06851 148.5
[M+CH3COO]- 228.08416 180.7
[M+Na-2H]- 190.04498 135.4
[M]+ 169.06976 133.4
[M]- 169.07086 133.4
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

patents stripe