CID 71758611

3-amino-1-(4-fluorophenyl)azetidin-2-one hydrochloride

Structural Information

Molecular Formula
C9H9FN2O
SMILES
C1C(C(=O)N1C2=CC=C(C=C2)F)N
InChI
InChI=1S/C9H9FN2O/c10-6-1-3-7(4-2-6)12-5-8(11)9(12)13/h1-4,8H,5,11H2
InChIKey
NTMNEOFXAHDHEC-UHFFFAOYSA-N
Compound name
3-amino-1-(4-fluorophenyl)azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.06989 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.07717 135.2
[M+Na]+ 203.05911 143.1
[M-H]- 179.06261 139.2
[M+NH4]+ 198.10371 147.2
[M+K]+ 219.03305 143.3
[M+H-H2O]+ 163.06715 122.1
[M+HCOO]- 225.06809 156.3
[M+CH3COO]- 239.08374 186.8
[M+Na-2H]- 201.04456 139.4
[M]+ 180.06934 140.4
[M]- 180.07044 140.4
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

No patent data available for this compound.