CID 15256996

Butyl chloromethyl carbonate

Structural Information

Molecular Formula

C₆H₁₁ClO₃

SMILES

CCCCOC(=O)OCCl

InChI

InChI=1S/C6H11ClO3/c1-2-3-4-9-6(8)10-5-7/h2-5H2,1H3

InChIKey

MBUCWFHXWNITCQ-UHFFFAOYSA-N

Compound name

butyl chloromethyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 170
Patents: 166.03967 Da
Monoisotopic Mass: 2.5
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]+	167.04695	131.6
[M+Na]+	189.02889	139.8
[M-H]-	165.03239	132.0
[M+NH4]+	184.07349	153.3
[M+K]+	205.00283	138.7
[M+H-H2O]+	149.03693	128.0
[M+HCOO]-	211.03787	151.0
[M+CH3COO]-	225.05352	175.6
[M+Na-2H]-	187.01434	137.2
[M]+	166.03912	137.6
[M]-	166.04022	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe