CID 114811

Florfenicol

Structural Information

Molecular Formula
C12H14Cl2FNO4S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)[C@H]([C@@H](CF)NC(=O)C(Cl)Cl)O
InChI
InChI=1S/C12H14Cl2FNO4S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-15)16-12(18)11(13)14/h2-5,9-11,17H,6H2,1H3,(H,16,18)/t9-,10-/m1/s1
InChIKey
AYIRNRDRBQJXIF-NXEZZACHSA-N
Compound name
2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

987
References

12262
Patents

357.00046 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.00774 167.2
[M+Na]+ 379.98968 173.4
[M-H]- 355.99318 168.1
[M+NH4]+ 375.03428 180.7
[M+K]+ 395.96362 168.4
[M+H-H2O]+ 339.99772 162.9
[M+HCOO]- 401.99866 170.8
[M+CH3COO]- 416.01431 207.2
[M+Na-2H]- 377.97513 166.0
[M]+ 356.99991 171.1
[M]- 357.00101 171.1
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