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

1
Patents

180.06989 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.077166 135.2
[M+Na]+ 203.059108 143.1
[M-H]- 179.062614 139.2
[M+NH4]+ 198.103713 147.2
[M+K]+ 219.033048 143.3
[M+H-H2O]+ 163.067150 122.1
[M+HCOO]- 225.068091 156.3
[M+CH3COO]- 239.083741 186.8
[M+Na-2H]- 201.044556 139.4
[M]+ 180.06934142 140.4
[M]- 180.07043858 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

patents stripe