CID 175416

3-fluorochloramphenicol

Structural Information

Molecular Formula
C11H11Cl2FN2O4
SMILES
C1=CC(=CC=C1[C@H]([C@@H](CF)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
InChI
InChI=1S/C11H11Cl2FN2O4/c12-10(13)11(18)15-8(5-14)9(17)6-1-3-7(4-2-6)16(19)20/h1-4,8-10,17H,5H2,(H,15,18)/t8-,9-/m1/s1
InChIKey
XYLJHIYLWPLQJE-RKDXNWHRSA-N
Compound name
2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

324.008 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.01528 162.9
[M+Na]+ 346.99722 167.6
[M-H]- 323.00072 162.7
[M+NH4]+ 342.04182 176.1
[M+K]+ 362.97116 159.7
[M+H-H2O]+ 307.00526 162.7
[M+HCOO]- 369.00620 174.0
[M+CH3COO]- 383.02185 198.3
[M+Na-2H]- 344.98267 163.9
[M]+ 324.00745 162.3
[M]- 324.00855 162.3
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

No patent data available for this compound.