CID 54754

81466-80-0

Structural Information

Molecular Formula

C₁₀H₆Cl₂INO₂

SMILES

C1=CC(=C(C=C1Cl)Cl)NC(=O)OCC#CI

InChI

InChI=1S/C10H6Cl2INO2/c11-7-2-3-9(8(12)6-7)14-10(15)16-5-1-4-13/h2-3,6H,5H2,(H,14,15)

InChIKey

XHGFFVKKNSRZJH-UHFFFAOYSA-N

Compound name

3-iodoprop-2-ynyl N-(2,4-dichlorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 368.88202 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	369.88930	160.8
[M+Na]+	391.87124	166.0
[M-H]-	367.87474	156.6
[M+NH4]+	386.91584	172.6
[M+K]+	407.84518	164.6
[M+H-H2O]+	351.87928	147.9
[M+HCOO]-	413.88022	167.2
[M+CH3COO]-	427.89587	206.8
[M+Na-2H]-	389.85669	153.1
[M]+	368.88147	157.0
[M]-	368.88257	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe