CID 71756469

35750-03-9

Structural Information

Molecular Formula
C11H8INO3
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)CI
InChI
InChI=1S/C11H8INO3/c12-5-7(14)6-13-10(15)8-3-1-2-4-9(8)11(13)16/h1-4H,5-6H2
InChIKey
CKNVDEBXZYTHKY-UHFFFAOYSA-N
Compound name
2-(3-iodo-2-oxopropyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.9549 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.96218 149.1
[M+Na]+ 351.94412 151.7
[M-H]- 327.94762 145.6
[M+NH4]+ 346.98872 164.2
[M+K]+ 367.91806 154.6
[M+H-H2O]+ 311.95216 139.6
[M+HCOO]- 373.95310 165.9
[M+CH3COO]- 387.96875 196.5
[M+Na-2H]- 349.92957 140.9
[M]+ 328.95435 148.5
[M]- 328.95545 148.5
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.