CID 347957

2,4-dichloro-n-methylbenzamide

Structural Information

Molecular Formula

C₈H₇Cl₂NO

SMILES

CNC(=O)C1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C8H7Cl2NO/c1-11-8(12)6-3-2-5(9)4-7(6)10/h2-4H,1H3,(H,11,12)

InChIKey

LHGOQNXBLLXSIZ-UHFFFAOYSA-N

Compound name

2,4-dichloro-N-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 101
Patents: 202.99046 Da
Monoisotopic Mass: 2.6
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]+	203.997736	137.7
[M+Na]+	225.979678	147.7
[M-H]-	201.983184	141.2
[M+NH4]+	221.024283	158.2
[M+K]+	241.953618	142.9
[M+H-H2O]+	185.987720	134.1
[M+HCOO]-	247.988661	153.4
[M+CH3COO]-	262.004311	185.3
[M+Na-2H]-	223.965126	142.8
[M]+	202.98991142	140.3
[M]-	202.99100858	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe