CID 2788414

3-chloro-n-(oxolan-2-ylmethyl)benzamide

Structural Information

Molecular Formula

C₁₂H₁₄ClNO₂

SMILES

C1CC(OC1)CNC(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C12H14ClNO2/c13-10-4-1-3-9(7-10)12(15)14-8-11-5-2-6-16-11/h1,3-4,7,11H,2,5-6,8H2,(H,14,15)

InChIKey

UEUFPGFWHHTRJD-UHFFFAOYSA-N

Compound name

3-chloro-N-(oxolan-2-ylmethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 239.0713 Da
Monoisotopic Mass: 2.2
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]+	240.078576	154.1
[M+Na]+	262.060518	160.3
[M-H]-	238.064024	160.8
[M+NH4]+	257.105123	172.4
[M+K]+	278.034458	157.3
[M+H-H2O]+	222.068560	148.0
[M+HCOO]-	284.069501	172.1
[M+CH3COO]-	298.085151	189.8
[M+Na-2H]-	260.045966	157.4
[M]+	239.07075142	154.2
[M]-	239.07184858	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.