CID 165905083

1,3-dioxo-2,3-dihydro-1h-isoindol-2-yl 2-(2,4-dichlorophenyl)acetate

Structural Information

Molecular Formula
C16H9Cl2NO4
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)OC(=O)CC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H9Cl2NO4/c17-10-6-5-9(13(18)8-10)7-14(20)23-19-15(21)11-3-1-2-4-12(11)16(19)22/h1-6,8H,7H2
InChIKey
BAOFVJFVLAPOMQ-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 2-(2,4-dichlorophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.99088 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.99816 173.8
[M+Na]+ 371.98010 185.7
[M-H]- 347.98360 180.4
[M+NH4]+ 367.02470 190.1
[M+K]+ 387.95404 179.4
[M+H-H2O]+ 331.98814 167.6
[M+HCOO]- 393.98908 185.9
[M+CH3COO]- 408.00473 208.4
[M+Na-2H]- 369.96555 174.5
[M]+ 348.99033 180.5
[M]- 348.99143 180.6
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.