CID 24229747

(tetrahydro-2h-pyran-4-yl)acetyl chloride

Structural Information

Molecular Formula

C₇H₁₁ClO₂

SMILES

C1COCCC1CC(=O)Cl

InChI

InChI=1S/C7H11ClO2/c8-7(9)5-6-1-3-10-4-2-6/h6H,1-5H2

InChIKey

JOMCRTRTXWWINA-UHFFFAOYSA-N

Compound name

2-(oxan-4-yl)acetyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 187
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]+	163.05203	131.8
[M+Na]+	185.03397	137.7
[M-H]-	161.03747	135.2
[M+NH4]+	180.07857	151.7
[M+K]+	201.00791	136.8
[M+H-H2O]+	145.04201	127.3
[M+HCOO]-	207.04295	146.8
[M+CH3COO]-	221.05860	174.2
[M+Na-2H]-	183.01942	137.4
[M]+	162.04420	130.7
[M]-	162.04530	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe