CID 22499337

89641-80-5

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: 219
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]+	165.03130	129.3
[M+Na]+	187.01324	140.6
[M+NH4]+	182.05784	137.9
[M+K]+	202.98718	135.6
[M-H]-	163.01674	131.6
[M+Na-2H]-	184.99869	134.0
[M]+	164.02347	131.7
[M]-	164.02457	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe