CID 978238

3-chloro-n-(1-hydroxy-2-methylpropan-2-yl)benzamide

Structural Information

Molecular Formula

C₁₁H₁₄ClNO₂

SMILES

CC(C)(CO)NC(=O)C1=CC(=CC=C1)Cl

InChI

InChI=1S/C11H14ClNO2/c1-11(2,7-14)13-10(15)8-4-3-5-9(12)6-8/h3-6,14H,7H2,1-2H3,(H,13,15)

InChIKey

XZDXDRPMHCVWBK-UHFFFAOYSA-N

Compound name

3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 227.0713 Da
Monoisotopic Mass: 1.8
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]+	228.078576	149.1
[M+Na]+	250.060518	156.6
[M-H]-	226.064024	151.5
[M+NH4]+	245.105123	167.4
[M+K]+	266.034458	152.6
[M+H-H2O]+	210.068560	144.6
[M+HCOO]-	272.069501	166.1
[M+CH3COO]-	286.085151	188.2
[M+Na-2H]-	248.045966	154.4
[M]+	227.07075142	150.5
[M]-	227.07184858	150.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.