CID 473206

3-chloro-4-(3,4-dichlorophenyl)-1-(4-hydroxy-5-isopropyl-2-methyl-phenyl)azetidin-2-one

Structural Information

Molecular Formula
C19H18Cl3NO2
SMILES
CC1=CC(=C(C=C1N2C(C(C2=O)Cl)C3=CC(=C(C=C3)Cl)Cl)C(C)C)O
InChI
InChI=1S/C19H18Cl3NO2/c1-9(2)12-8-15(10(3)6-16(12)24)23-18(17(22)19(23)25)11-4-5-13(20)14(21)7-11/h4-9,17-18,24H,1-3H3
InChIKey
ZDESSSIPKJAKDV-UHFFFAOYSA-N
Compound name
3-chloro-4-(3,4-dichlorophenyl)-1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.0403 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.04758 177.7
[M+Na]+ 420.02952 188.6
[M-H]- 396.03302 183.2
[M+NH4]+ 415.07412 183.8
[M+K]+ 436.00346 183.7
[M+H-H2O]+ 380.03756 166.9
[M+HCOO]- 442.03850 181.1
[M+CH3COO]- 456.05415 223.3
[M+Na-2H]- 418.01497 174.3
[M]+ 397.03975 190.9
[M]- 397.04085 190.9
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.