CID 374783

Nsc653028

Structural Information

Molecular Formula
C17H11Cl3N2O
SMILES
C1=CC=C2C(=C1)C(=CN2)C3C(=O)C(N3C4=C(C=C(C=C4)Cl)Cl)Cl
InChI
InChI=1S/C17H11Cl3N2O/c18-9-5-6-14(12(19)7-9)22-15(16(23)17(22)20)11-8-21-13-4-2-1-3-10(11)13/h1-8,15,17,21H
InChIKey
YDRUBTPXMIELJK-UHFFFAOYSA-N
Compound name
2-chloro-1-(2,4-dichlorophenyl)-4-(1H-indol-3-yl)azetidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.99368 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.00096 168.7
[M+Na]+ 386.98290 181.4
[M-H]- 362.98640 173.8
[M+NH4]+ 382.02750 177.0
[M+K]+ 402.95684 174.9
[M+H-H2O]+ 346.99094 156.8
[M+HCOO]- 408.99188 173.8
[M+CH3COO]- 423.00753 179.2
[M+Na-2H]- 384.96835 169.4
[M]+ 363.99313 180.9
[M]- 363.99423 180.9
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.