CID 65439120

3-(3,4-difluorophenyl)azetidin-3-ol hydrochloride

Structural Information

Molecular Formula
C9H9F2NO
SMILES
C1C(CN1)(C2=CC(=C(C=C2)F)F)O
InChI
InChI=1S/C9H9F2NO/c10-7-2-1-6(3-8(7)11)9(13)4-12-5-9/h1-3,12-13H,4-5H2
InChIKey
FVMLZXROLJMPOL-UHFFFAOYSA-N
Compound name
3-(3,4-difluorophenyl)azetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

185.06522 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07250 136.7
[M+Na]+ 208.05444 144.7
[M-H]- 184.05794 137.4
[M+NH4]+ 203.09904 149.6
[M+K]+ 224.02838 143.6
[M+H-H2O]+ 168.06248 124.7
[M+HCOO]- 230.06342 153.5
[M+CH3COO]- 244.07907 179.7
[M+Na-2H]- 206.03989 141.9
[M]+ 185.06467 139.6
[M]- 185.06577 139.6
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