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

1044
Patents

183.04509 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.05237 136.0
[M+Na]+ 206.03431 149.3
[M+NH4]+ 201.07891 145.3
[M+K]+ 222.00825 142.7
[M-H]- 182.03781 139.1
[M+Na-2H]- 204.01976 143.7
[M]+ 183.04454 139.0
[M]- 183.04564 139.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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