CID 82484293

1-(3,5-dichlorophenyl)-2-oxoazetidine-3-carboxylic acid

Structural Information

Molecular Formula
C10H7Cl2NO3
SMILES
C1C(C(=O)N1C2=CC(=CC(=C2)Cl)Cl)C(=O)O
InChI
InChI=1S/C10H7Cl2NO3/c11-5-1-6(12)3-7(2-5)13-4-8(9(13)14)10(15)16/h1-3,8H,4H2,(H,15,16)
InChIKey
WVJLLNXZMXDDEK-UHFFFAOYSA-N
Compound name
1-(3,5-dichlorophenyl)-2-oxoazetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

258.9803 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.98758 141.3
[M+Na]+ 281.96952 151.2
[M-H]- 257.97302 145.1
[M+NH4]+ 277.01412 151.7
[M+K]+ 297.94346 148.9
[M+H-H2O]+ 241.97756 131.6
[M+HCOO]- 303.97850 151.8
[M+CH3COO]- 317.99415 194.0
[M+Na-2H]- 279.95497 143.7
[M]+ 258.97975 152.7
[M]- 258.98085 152.7
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