CID 7010342

3-dimethylaminobenzoyl chloride hydrochloride

Structural Information

Molecular Formula

C₉H₁₀ClNO

SMILES

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

InChI

InChI=1S/C9H10ClNO/c1-11(2)8-5-3-4-7(6-8)9(10)12/h3-6H,1-2H3

InChIKey

CUECQYFYMGJLJD-UHFFFAOYSA-N

Compound name

3-(dimethylamino)benzoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 445
Patents: 183.04509 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]+	184.052366	135.8
[M+Na]+	206.034308	144.2
[M-H]-	182.037814	141.1
[M+NH4]+	201.078913	157.0
[M+K]+	222.008248	142.0
[M+H-H2O]+	166.042350	130.7
[M+HCOO]-	228.043291	156.8
[M+CH3COO]-	242.058941	186.6
[M+Na-2H]-	204.019756	141.2
[M]+	183.04454142	138.8
[M]-	183.04563858	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe