CID 26584

14225-20-8

Structural Information

Molecular Formula
C11H9ClINO2
SMILES
C1=CC(=CC=C1NC(=O)OCC#CCI)Cl
InChI
InChI=1S/C11H9ClINO2/c12-9-3-5-10(6-4-9)14-11(15)16-8-2-1-7-13/h3-6H,7-8H2,(H,14,15)
InChIKey
YDTDURWHACXQHU-UHFFFAOYSA-N
Compound name
4-iodobut-2-ynyl N-(4-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.93665 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.94393 159.9
[M+Na]+ 371.92587 164.9
[M+NH4]+ 366.97047 160.4
[M+K]+ 387.89981 158.2
[M-H]- 347.92937 148.8
[M+Na-2H]- 369.91132 151.9
[M]+ 348.93610 155.9
[M]- 348.93720 155.9
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.