CID 572460

115538-83-5

Structural Information

Molecular Formula

C₁₁H₁₄ClNO₃

SMILES

C1=CC(=CC=C1CC(=O)N)OCC(CCl)O

InChI

InChI=1S/C11H14ClNO3/c12-6-9(14)7-16-10-3-1-8(2-4-10)5-11(13)15/h1-4,9,14H,5-7H2,(H2,13,15)

InChIKey

OQFMSHFNOSFLJU-UHFFFAOYSA-N

Compound name

2-[4-(3-chloro-2-hydroxypropoxy)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 243.06622 Da
Monoisotopic Mass: 0.4
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]+	244.07350	151.8
[M+Na]+	266.05544	162.3
[M+NH4]+	261.10004	158.6
[M+K]+	282.02938	157.2
[M-H]-	242.05894	152.5
[M+Na-2H]-	264.04089	156.3
[M]+	243.06567	153.4
[M]-	243.06677	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe