CID 4400782

4-(dimethylamino)benzoyl chloride

Structural Information

Molecular Formula
C9H10ClNO
SMILES
CN(C)C1=CC=C(C=C1)C(=O)Cl
InChI
InChI=1S/C9H10ClNO/c1-11(2)8-5-3-7(4-6-8)9(10)12/h3-6H,1-2H3
InChIKey
UGJDXRVQCYBXAJ-UHFFFAOYSA-N
Compound name
4-(dimethylamino)benzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1206
Patents

183.04509 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe