CID 3060767

Brn 1478034

Structural Information

Molecular Formula
C12H12I2N2O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)N(CCI)CCI
InChI
InChI=1S/C12H12I2N2O2/c13-5-7-15(8-6-14)16-11(17)9-3-1-2-4-10(9)12(16)18/h1-4H,5-8H2
InChIKey
RRGLHSUPRGTXKJ-UHFFFAOYSA-N
Compound name
2-[bis(2-iodoethyl)amino]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.89883 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.90611 161.2
[M+Na]+ 492.88805 154.8
[M-H]- 468.89155 153.4
[M+NH4]+ 487.93265 169.4
[M+K]+ 508.86199 164.1
[M+H-H2O]+ 452.89609 148.7
[M+HCOO]- 514.89703 172.8
[M+CH3COO]- 528.91268 219.1
[M+Na-2H]- 490.87350 147.5
[M]+ 469.89828 158.7
[M]- 469.89938 158.7
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.