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

23
Patents

181.09029 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09757 134.8
[M+Na]+ 204.07951 141.8
[M-H]- 180.08301 137.5
[M+NH4]+ 199.12411 146.6
[M+K]+ 220.05345 141.8
[M+H-H2O]+ 164.08755 122.3
[M+HCOO]- 226.08849 153.7
[M+CH3COO]- 240.10414 182.9
[M+Na-2H]- 202.06496 139.8
[M]+ 181.08974 140.6
[M]- 181.09084 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