CID 57639126

3-(4-fluorophenyl)azetidin-3-ol hydrochloride

Structural Information

Molecular Formula
C9H10FNO
SMILES
C1C(CN1)(C2=CC=C(C=C2)F)O
InChI
InChI=1S/C9H10FNO/c10-8-3-1-7(2-4-8)9(12)5-11-6-9/h1-4,11-12H,5-6H2
InChIKey
BLMKGGIPWSRGMG-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)azetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

167.07465 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.081926 133.5
[M+Na]+ 190.063868 140.6
[M-H]- 166.067374 135.2
[M+NH4]+ 185.108473 146.9
[M+K]+ 206.037808 139.9
[M+H-H2O]+ 150.071910 122.2
[M+HCOO]- 212.072851 151.3
[M+CH3COO]- 226.088501 175.9
[M+Na-2H]- 188.049316 140.1
[M]+ 167.07410142 137.1
[M]- 167.07519858 137.1
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