CID 2795505

Oxane-4-carbonyl chloride

Structural Information

Molecular Formula

SMILES

C1COCCC1C(=O)Cl

InChI

InChI=1S/C6H9ClO2/c7-6(8)5-1-3-9-4-2-5/h5H,1-4H2

InChIKey

RYGUCYSSMOFTSH-UHFFFAOYSA-N

Compound name

oxane-4-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1305
Patents: 148.02911 Da
Monoisotopic Mass: 1.1
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]+	149.036386	127.1
[M+Na]+	171.018328	133.4
[M-H]-	147.021834	130.6
[M+NH4]+	166.062933	147.5
[M+K]+	186.992268	132.8
[M+H-H2O]+	131.026370	122.8
[M+HCOO]-	193.027311	142.4
[M+CH3COO]-	207.042961	171.2
[M+Na-2H]-	169.003776	133.2
[M]+	148.02856142	125.6
[M]-	148.02965858	125.6

Literature stripe

literature stripe

Patent stripe

patents stripe