CID 132785401

402608-04-2

Structural Information

Molecular Formula
C16H10ClNO4
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)OC(=O)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H10ClNO4/c17-11-7-5-10(6-8-11)9-14(19)22-18-15(20)12-3-1-2-4-13(12)16(18)21/h1-8H,9H2
InChIKey
PRPOKJGWRJNQJB-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 2-(4-chlorophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.02985 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.03713 167.8
[M+Na]+ 338.01907 178.4
[M-H]- 314.02257 174.8
[M+NH4]+ 333.06367 184.7
[M+K]+ 353.99301 173.1
[M+H-H2O]+ 298.02711 160.8
[M+HCOO]- 360.02805 185.0
[M+CH3COO]- 374.04370 203.0
[M+Na-2H]- 336.00452 169.9
[M]+ 315.02930 172.9
[M]- 315.03040 172.9
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.