CID 84180

4-chloro-n,n-dimethylbenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

183.04509 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.05237 136.0
[M+Na]+ 206.03431 144.5
[M-H]- 182.03781 141.3
[M+NH4]+ 201.07891 157.3
[M+K]+ 222.00825 142.3
[M+H-H2O]+ 166.04235 131.0
[M+HCOO]- 228.04329 157.0
[M+CH3COO]- 242.05894 185.9
[M+Na-2H]- 204.01976 141.4
[M]+ 183.04454 138.9
[M]- 183.04564 138.9
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