CID 27200

Thiamphenicol

Structural Information

Molecular Formula
C12H15Cl2NO5S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O
InChI
InChI=1S/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)/t9-,10-/m1/s1
InChIKey
OTVAEFIXJLOWRX-NXEZZACHSA-N
Compound name
2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

1253
References

15049
Patents

355.0048 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.01208 175.0
[M+Na]+ 377.99402 182.7
[M+NH4]+ 373.03862 179.5
[M+K]+ 393.96796 178.5
[M-H]- 353.99752 172.6
[M+Na-2H]- 375.97947 176.6
[M]+ 355.00425 175.9
[M]- 355.00535 175.9
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