CID 6435221

P-chlorocarbanilic acid 2,3-diiodo-2-propenyl ester

Structural Information

Molecular Formula
C10H8ClI2NO2
SMILES
C1=CC(=CC=C1NC(=O)OC/C(=C\I)/I)Cl
InChI
InChI=1S/C10H8ClI2NO2/c11-7-1-3-9(4-2-7)14-10(15)16-6-8(13)5-12/h1-5H,6H2,(H,14,15)/b8-5+
InChIKey
QZUQFKOMNKENQP-VMPITWQZSA-N
Compound name
[(E)-2,3-diiodoprop-2-enyl] N-(4-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.8333 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.84058 169.9
[M+Na]+ 485.82252 165.4
[M+NH4]+ 480.86712 168.1
[M+K]+ 501.79646 166.3
[M-H]- 461.82602 159.4
[M+Na-2H]- 483.80797 153.6
[M]+ 462.83275 164.4
[M]- 462.83385 164.4
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.