CID 1726586

Decyl 2-(2,3-dichlorophenyl)-1,3-dioxoisoindoline-5-carboxylate

Structural Information

Molecular Formula
C25H27Cl2NO4
SMILES
CCCCCCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=C(C(=CC=C3)Cl)Cl
InChI
InChI=1S/C25H27Cl2NO4/c1-2-3-4-5-6-7-8-9-15-32-25(31)17-13-14-18-19(16-17)24(30)28(23(18)29)21-12-10-11-20(26)22(21)27/h10-14,16H,2-9,15H2,1H3
InChIKey
IDSWAZKNARVDMT-UHFFFAOYSA-N
Compound name
decyl 2-(2,3-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.1317 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.13898 214.9
[M+Na]+ 498.12092 223.5
[M-H]- 474.12442 220.1
[M+NH4]+ 493.16552 226.2
[M+K]+ 514.09486 215.3
[M+H-H2O]+ 458.12896 207.0
[M+HCOO]- 520.12990 223.8
[M+CH3COO]- 534.14555 235.4
[M+Na-2H]- 496.10637 210.1
[M]+ 475.13115 224.9
[M]- 475.13225 224.9
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.