CID 346701

4-chloro-n-pentan-2-ylbenzamide

Structural Information

Molecular Formula

C₁₂H₁₆ClNO

SMILES

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

InChI

InChI=1S/C12H16ClNO/c1-3-4-9(2)14-12(15)10-5-7-11(13)8-6-10/h5-9H,3-4H2,1-2H3,(H,14,15)

InChIKey

JQFSPJVRVRSMOP-UHFFFAOYSA-N

Compound name

4-chloro-N-pentan-2-ylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 225.09204 Da
Monoisotopic Mass: 3.5
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]+	226.09932	150.4
[M+Na]+	248.08126	162.6
[M+NH4]+	243.12586	158.8
[M+K]+	264.05520	155.5
[M-H]-	224.08476	152.8
[M+Na-2H]-	246.06671	156.6
[M]+	225.09149	153.0
[M]-	225.09259	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe