CID 230283

2-(3-iodopropyl)-2,3-dihydro-1h-isoindole-1,3-dione

Structural Information

Molecular Formula
C11H10INO2
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCCI
InChI
InChI=1S/C11H10INO2/c12-6-3-7-13-10(14)8-4-1-2-5-9(8)11(13)15/h1-2,4-5H,3,6-7H2
InChIKey
LKSISOJOXOBDGH-UHFFFAOYSA-N
Compound name
2-(3-iodopropyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

77
Patents

314.97562 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.98290 146.9
[M+Na]+ 337.96484 149.6
[M-H]- 313.96834 143.3
[M+NH4]+ 333.00944 162.7
[M+K]+ 353.93878 152.1
[M+H-H2O]+ 297.97288 137.3
[M+HCOO]- 359.97382 164.3
[M+CH3COO]- 373.98947 194.5
[M+Na-2H]- 335.95029 139.7
[M]+ 314.97507 146.2
[M]- 314.97617 146.2
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

patents stripe