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

33
Patents

167.07465 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.08193 133.5
[M+Na]+ 190.06387 140.6
[M-H]- 166.06737 135.2
[M+NH4]+ 185.10847 146.9
[M+K]+ 206.03781 139.9
[M+H-H2O]+ 150.07191 122.2
[M+HCOO]- 212.07285 151.3
[M+CH3COO]- 226.08850 175.9
[M+Na-2H]- 188.04932 140.1
[M]+ 167.07410 137.1
[M]- 167.07520 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