CID 10358610

Cetophenicol

Structural Information

Molecular Formula
C13H15Cl2NO4
SMILES
CC(=O)C1=CC=C(C=C1)[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O
InChI
InChI=1S/C13H15Cl2NO4/c1-7(18)8-2-4-9(5-3-8)11(19)10(6-17)16-13(20)12(14)15/h2-5,10-12,17,19H,6H2,1H3,(H,16,20)/t10-,11-/m1/s1
InChIKey
PKUBDVAOXLEWBF-GHMZBOCLSA-N
Compound name
N-[(1R,2R)-1-(4-acetylphenyl)-1,3-dihydroxypropan-2-yl]-2,2-dichloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1352
Patents

319.0378 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.04508 167.6
[M+Na]+ 342.02702 176.6
[M+NH4]+ 337.07162 172.8
[M+K]+ 358.00096 173.2
[M-H]- 318.03052 166.4
[M+Na-2H]- 340.01247 169.9
[M]+ 319.03725 168.6
[M]- 319.03835 168.6
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