CID 3033552

N,n'-vinylenebis(iodoacetic acid carbamic acid anhydride)

Structural Information

Molecular Formula
C8H8I2N2O6
SMILES
C(C(=O)OC(=O)N/C=C/NC(=O)OC(=O)CI)I
InChI
InChI=1S/C8H8I2N2O6/c9-3-5(13)17-7(15)11-1-2-12-8(16)18-6(14)4-10/h1-2H,3-4H2,(H,11,15)(H,12,16)/b2-1+
InChIKey
XSLBXSQZGZWLTI-OWOJBTEDSA-N
Compound name
[(E)-2-[(2-iodoacetyl)oxycarbonylamino]ethenyl]carbamoyl 2-iodoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.84717 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.85445 184.6
[M+Na]+ 504.83639 174.5
[M+NH4]+ 499.88099 178.8
[M+K]+ 520.81033 178.8
[M-H]- 480.83989 169.4
[M+Na-2H]- 502.82184 162.3
[M]+ 481.84662 176.2
[M]- 481.84772 176.2
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.