CID 72698864

3-(2,4-difluorophenyl)azetidine hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

169.07031 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.077586 130.4
[M+Na]+ 192.059528 138.1
[M-H]- 168.063034 132.0
[M+NH4]+ 187.104133 142.7
[M+K]+ 208.033468 137.3
[M+H-H2O]+ 152.067570 117.4
[M+HCOO]- 214.068511 148.5
[M+CH3COO]- 228.084161 180.7
[M+Na-2H]- 190.044976 135.4
[M]+ 169.06976142 133.4
[M]- 169.07085858 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