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 177.1
[M+Na]+ 504.83639 167.8
[M-H]- 480.83989 166.5
[M+NH4]+ 499.88099 182.4
[M+K]+ 520.81033 179.6
[M+H-H2O]+ 464.84443 164.8
[M+HCOO]- 526.84537 188.3
[M+CH3COO]- 540.86102 215.4
[M+Na-2H]- 502.82184 159.9
[M]+ 481.84662 174.3
[M]- 481.84772 174.3
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.