CID 22499337

Oxan-4-yl chloroformate

Structural Information

Molecular Formula

SMILES

C1COCCC1OC(=O)Cl

InChI

InChI=1S/C6H9ClO3/c7-6(8)10-5-1-3-9-4-2-5/h5H,1-4H2

InChIKey

LXPXWKCKQMBYBS-UHFFFAOYSA-N

Compound name

oxan-4-yl carbonochloridate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 224
Patents: 164.02402 Da
Monoisotopic Mass: 1.6
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]+	165.031296	129.8
[M+Na]+	187.013238	136.2
[M-H]-	163.016744	133.5
[M+NH4]+	182.057843	149.7
[M+K]+	202.987178	136.1
[M+H-H2O]+	147.021280	125.4
[M+HCOO]-	209.022221	145.5
[M+CH3COO]-	223.037871	172.6
[M+Na-2H]-	184.998686	136.1
[M]+	164.02347142	129.8
[M]-	164.02456858	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe