CID 45043

4-amino-3,5-dichloro-n-methylbenzamide

Structural Information

Molecular Formula

C₈H₈Cl₂N₂O

SMILES

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

InChI

InChI=1S/C8H8Cl2N2O/c1-12-8(13)4-2-5(9)7(11)6(10)3-4/h2-3H,11H2,1H3,(H,12,13)

InChIKey

VWCIKDGTRYRDSG-UHFFFAOYSA-N

Compound name

4-amino-3,5-dichloro-N-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 218.00137 Da
Monoisotopic Mass: 2.3
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]+	219.00865	142.2
[M+Na]+	240.99059	155.2
[M+NH4]+	236.03519	150.7
[M+K]+	256.96453	148.6
[M-H]-	216.99409	144.9
[M+Na-2H]-	238.97604	148.5
[M]+	218.00082	145.2
[M]-	218.00192	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe