CID 3041663

4-(chloromethyl)-n,n-diethylbenzamide

Structural Information

Molecular Formula
C12H16ClNO
SMILES
CCN(CC)C(=O)C1=CC=C(C=C1)CCl
InChI
InChI=1S/C12H16ClNO/c1-3-14(4-2)12(15)11-7-5-10(9-13)6-8-11/h5-8H,3-4,9H2,1-2H3
InChIKey
KZBDMXFIDCWCOU-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-N,N-diethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

225.09204 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.099316 150.3
[M+Na]+ 248.081258 157.6
[M-H]- 224.084764 155.1
[M+NH4]+ 243.125863 170.0
[M+K]+ 264.055198 154.6
[M+H-H2O]+ 208.089300 144.7
[M+HCOO]- 270.090241 170.4
[M+CH3COO]- 284.105891 194.9
[M+Na-2H]- 246.066706 154.0
[M]+ 225.09149142 154.3
[M]- 225.09258858 154.3
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