CID 131184

130203-74-6

Structural Information

Molecular Formula
C18H19Cl2NO2
SMILES
CCC(CNC(=O)C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C18H19Cl2NO2/c1-2-16(22)11-21-18(23)17(12-3-7-14(19)8-4-12)13-5-9-15(20)10-6-13/h3-10,16-17,22H,2,11H2,1H3,(H,21,23)
InChIKey
QJAXJTDUOBFFJZ-UHFFFAOYSA-N
Compound name
2,2-bis(4-chlorophenyl)-N-(2-hydroxybutyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.07928 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.08656 178.9
[M+Na]+ 374.06850 185.0
[M-H]- 350.07200 183.2
[M+NH4]+ 369.11310 192.2
[M+K]+ 390.04244 178.3
[M+H-H2O]+ 334.07654 173.0
[M+HCOO]- 396.07748 189.8
[M+CH3COO]- 410.09313 211.7
[M+Na-2H]- 372.05395 178.7
[M]+ 351.07873 181.8
[M]- 351.07983 181.8
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

No patent data available for this compound.