CID 82566

2-chloro-n,n-diethylbenzamide

Structural Information

Molecular Formula
C11H14ClNO
SMILES
CCN(CC)C(=O)C1=CC=CC=C1Cl
InChI
InChI=1S/C11H14ClNO/c1-3-13(4-2)11(14)9-7-5-6-8-10(9)12/h5-8H,3-4H2,1-2H3
InChIKey
MZJHBUKIOBJCAW-UHFFFAOYSA-N
Compound name
2-chloro-N,N-diethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

220
Patents

211.07639 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.083666 145.6
[M+Na]+ 234.065608 153.3
[M-H]- 210.069114 150.5
[M+NH4]+ 229.110213 165.8
[M+K]+ 250.039548 150.5
[M+H-H2O]+ 194.073650 140.1
[M+HCOO]- 256.074591 165.9
[M+CH3COO]- 270.090241 191.9
[M+Na-2H]- 232.051056 149.8
[M]+ 211.07584142 149.2
[M]- 211.07693858 149.2
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