CID 3033552

73622-91-0

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]+ 482.854446 177.1
[M+Na]+ 504.836388 167.8
[M-H]- 480.839894 166.5
[M+NH4]+ 499.880993 182.4
[M+K]+ 520.810328 179.6
[M+H-H2O]+ 464.844430 164.8
[M+HCOO]- 526.845371 188.3
[M+CH3COO]- 540.861021 215.4
[M+Na-2H]- 502.821836 159.9
[M]+ 481.84662142 174.3
[M]- 481.84771858 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.