CID 13813929

1-[(4-fluorophenyl)methyl]azetidin-3-ol

Structural Information

Molecular Formula
C10H12FNO
SMILES
C1C(CN1CC2=CC=C(C=C2)F)O
InChI
InChI=1S/C10H12FNO/c11-9-3-1-8(2-4-9)5-12-6-10(13)7-12/h1-4,10,13H,5-7H2
InChIKey
JKNYOFXNAYHDJV-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)methyl]azetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

181.09029 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.097566 134.8
[M+Na]+ 204.079508 141.8
[M-H]- 180.083014 137.5
[M+NH4]+ 199.124113 146.6
[M+K]+ 220.053448 141.8
[M+H-H2O]+ 164.087550 122.3
[M+HCOO]- 226.088491 153.7
[M+CH3COO]- 240.104141 182.9
[M+Na-2H]- 202.064956 139.8
[M]+ 181.08974142 140.6
[M]- 181.09083858 140.6
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