CID 329073

22990-11-0

Structural Information

Molecular Formula
C15H11Cl2NO
SMILES
C1C2=CC=CC=C2C(NC1=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H11Cl2NO/c16-10-5-6-12(13(17)8-10)15-11-4-2-1-3-9(11)7-14(19)18-15/h1-6,8,15H,7H2,(H,18,19)
InChIKey
NJIHDHXJLLDNCY-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

291.02176 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.02904 161.5
[M+Na]+ 314.01098 171.7
[M-H]- 290.01448 165.6
[M+NH4]+ 309.05558 177.6
[M+K]+ 329.98492 163.6
[M+H-H2O]+ 274.01902 154.9
[M+HCOO]- 336.01996 170.3
[M+CH3COO]- 350.03561 172.6
[M+Na-2H]- 311.99643 165.5
[M]+ 291.02121 161.3
[M]- 291.02231 161.3
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.