CID 170455749

2,2-dichloro-n-[(1r,2s)-1-hydroxy-1-(4-nitrophenyl)-3-oxopropan-2-yl]acetamide

Structural Information

Molecular Formula
C11H10Cl2N2O5
SMILES
C1=CC(=CC=C1[C@H]([C@@H](C=O)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
InChI
InChI=1S/C11H10Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-5,8-10,17H,(H,14,18)/t8-,9-/m1/s1
InChIKey
SOKOSJHXYPGSRZ-RKDXNWHRSA-N
Compound name
2,2-dichloro-N-[(1R,2S)-1-hydroxy-1-(4-nitrophenyl)-3-oxopropan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.99667 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.003946 163.0
[M+Na]+ 342.985888 167.7
[M-H]- 318.989394 164.3
[M+NH4]+ 338.030493 176.2
[M+K]+ 358.959828 160.4
[M+H-H2O]+ 302.993930 163.7
[M+HCOO]- 364.994871 175.4
[M+CH3COO]- 379.010521 196.8
[M+Na-2H]- 340.971336 164.7
[M]+ 319.99612142 164.1
[M]- 319.99721858 164.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.