CID 1721959

2-chloro-n-octylbenzamide

Structural Information

Molecular Formula

C₁₅H₂₂ClNO

SMILES

CCCCCCCCNC(=O)C1=CC=CC=C1Cl

InChI

InChI=1S/C15H22ClNO/c1-2-3-4-5-6-9-12-17-15(18)13-10-7-8-11-14(13)16/h7-8,10-11H,2-6,9,12H2,1H3,(H,17,18)

InChIKey

WGRXJVIEUFBCJX-UHFFFAOYSA-N

Compound name

2-chloro-N-octylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 267.13898 Da
Monoisotopic Mass: 4.3
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]+	268.14626	164.6
[M+Na]+	290.12820	170.4
[M-H]-	266.13170	167.3
[M+NH4]+	285.17280	181.9
[M+K]+	306.10214	165.3
[M+H-H2O]+	250.13624	158.5
[M+HCOO]-	312.13718	183.1
[M+CH3COO]-	326.15283	200.5
[M+Na-2H]-	288.11365	167.4
[M]+	267.13843	168.4
[M]-	267.13953	168.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe