CID 16780166

3-[(4-fluorophenyl)methyl]azetidine hydrochloride

Structural Information

Molecular Formula
C10H12FN
SMILES
C1C(CN1)CC2=CC=C(C=C2)F
InChI
InChI=1S/C10H12FN/c11-10-3-1-8(2-4-10)5-9-6-12-7-9/h1-4,9,12H,5-7H2
InChIKey
XNDJLHUZUSQKTB-UHFFFAOYSA-N
Compound name
3-[(4-fluorophenyl)methyl]azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

165.09538 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.10266 131.5
[M+Na]+ 188.08460 137.8
[M-H]- 164.08810 133.9
[M+NH4]+ 183.12920 143.8
[M+K]+ 204.05854 137.2
[M+H-H2O]+ 148.09264 119.0
[M+HCOO]- 210.09358 150.3
[M+CH3COO]- 224.10923 179.8
[M+Na-2H]- 186.07005 137.3
[M]+ 165.09483 135.6
[M]- 165.09593 135.6
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