CID 82473495

1-(3-chlorophenyl)-2-oxoazetidine-3-carboxylic acid

Structural Information

Molecular Formula
C10H8ClNO3
SMILES
C1C(C(=O)N1C2=CC(=CC=C2)Cl)C(=O)O
InChI
InChI=1S/C10H8ClNO3/c11-6-2-1-3-7(4-6)12-5-8(9(12)13)10(14)15/h1-4,8H,5H2,(H,14,15)
InChIKey
ZVFNQXCZKPFMAK-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-2-oxoazetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.01927 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.026546 138.9
[M+Na]+ 248.008488 147.5
[M-H]- 224.011994 143.2
[M+NH4]+ 243.053093 149.8
[M+K]+ 263.982428 146.5
[M+H-H2O]+ 208.016530 128.0
[M+HCOO]- 270.017471 154.2
[M+CH3COO]- 284.033121 188.4
[M+Na-2H]- 245.993936 142.4
[M]+ 225.01872142 148.9
[M]- 225.01981858 148.9
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.