CID 347958

3,4-dichloro-n-methylbenzamide

Structural Information

Molecular Formula

C₈H₇Cl₂NO

SMILES

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

InChI

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

InChIKey

RFKPFCKZTDNVKT-UHFFFAOYSA-N

Compound name

3,4-dichloro-N-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 29
Patents: 202.99046 Da
Monoisotopic Mass: 3.2
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]+	203.99774	137.7
[M+Na]+	225.97968	147.7
[M-H]-	201.98318	141.2
[M+NH4]+	221.02428	158.2
[M+K]+	241.95362	142.9
[M+H-H2O]+	185.98772	134.1
[M+HCOO]-	247.98866	153.4
[M+CH3COO]-	262.00431	185.3
[M+Na-2H]-	223.96513	142.8
[M]+	202.98991	140.3
[M]-	202.99101	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe