CID 3078022

2-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)benzoic acid

Structural Information

Molecular Formula
C16H12ClNO3
SMILES
C1=CC=C(C=C1)C2C(C(=O)N2C3=CC=CC=C3C(=O)O)Cl
InChI
InChI=1S/C16H12ClNO3/c17-13-14(10-6-2-1-3-7-10)18(15(13)19)12-9-5-4-8-11(12)16(20)21/h1-9,13-14H,(H,20,21)
InChIKey
CBNAJBCPYRKNIN-UHFFFAOYSA-N
Compound name
2-(3-chloro-2-oxo-4-phenylazetidin-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.05057 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.05785 161.5
[M+Na]+ 324.03979 172.6
[M+NH4]+ 319.08439 165.3
[M+K]+ 340.01373 167.5
[M-H]- 300.04329 163.1
[M+Na-2H]- 322.02524 167.7
[M]+ 301.05002 162.7
[M]- 301.05112 162.7
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

No patent data available for this compound.