CID 5237736

4-bromophenyl chloroformate

Structural Information

Molecular Formula

C₇H₄BrClO₂

SMILES

C1=CC(=CC=C1OC(=O)Cl)Br

InChI

InChI=1S/C7H4BrClO2/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H

InChIKey

IKMNJYGTSSQNSE-UHFFFAOYSA-N

Compound name

(4-bromophenyl) carbonochloridate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 334
Patents: 233.90833 Da
Monoisotopic Mass: 3.4
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]+	234.91561	134.7
[M+Na]+	256.89755	148.0
[M-H]-	232.90105	141.4
[M+NH4]+	251.94215	157.2
[M+K]+	272.87149	136.4
[M+H-H2O]+	216.90559	136.2
[M+HCOO]-	278.90653	152.7
[M+CH3COO]-	292.92218	184.1
[M+Na-2H]-	254.88300	142.8
[M]+	233.90778	156.1
[M]-	233.90888	156.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe