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]+ 226.02655 138.9
[M+Na]+ 248.00849 147.5
[M-H]- 224.01199 143.2
[M+NH4]+ 243.05309 149.8
[M+K]+ 263.98243 146.5
[M+H-H2O]+ 208.01653 128.0
[M+HCOO]- 270.01747 154.2
[M+CH3COO]- 284.03312 188.4
[M+Na-2H]- 245.99394 142.4
[M]+ 225.01872 148.9
[M]- 225.01982 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.