CID 3008650

3,3-dichloro-1-phenyl-4-(p-tolyl)azetidin-2-one

Structural Information

Molecular Formula
C16H13Cl2NO
SMILES
CC1=CC=C(C=C1)C2C(C(=O)N2C3=CC=CC=C3)(Cl)Cl
InChI
InChI=1S/C16H13Cl2NO/c1-11-7-9-12(10-8-11)14-16(17,18)15(20)19(14)13-5-3-2-4-6-13/h2-10,14H,1H3
InChIKey
YJNBWVXMLWSBHP-UHFFFAOYSA-N
Compound name
3,3-dichloro-4-(4-methylphenyl)-1-phenylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.0374 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.04468 157.3
[M+Na]+ 328.02662 168.2
[M-H]- 304.03012 165.0
[M+NH4]+ 323.07122 168.5
[M+K]+ 344.00056 163.8
[M+H-H2O]+ 288.03466 146.0
[M+HCOO]- 350.03560 169.2
[M+CH3COO]- 364.05125 204.9
[M+Na-2H]- 326.01207 161.5
[M]+ 305.03685 169.1
[M]- 305.03795 169.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.