CID 10034927

141061-07-6

Structural Information

Molecular Formula

C₇H₁₁ClO₂

SMILES

C1CCOC(C1)C(=O)CCl

InChI

InChI=1S/C7H11ClO2/c8-5-6(9)7-3-1-2-4-10-7/h7H,1-5H2

InChIKey

FMSSLEJLVMFYLB-UHFFFAOYSA-N

Compound name

2-chloro-1-(oxan-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 162.04475 Da
Monoisotopic Mass: 1.3
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]+	163.052026	131.8
[M+Na]+	185.033968	137.7
[M-H]-	161.037474	135.2
[M+NH4]+	180.078573	151.7
[M+K]+	201.007908	136.8
[M+H-H2O]+	145.042010	127.3
[M+HCOO]-	207.042951	146.8
[M+CH3COO]-	221.058601	174.2
[M+Na-2H]-	183.019416	137.4
[M]+	162.04420142	130.7
[M]-	162.04529858	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe