CID 11790868

2-fluoro-n-((1s,2s)-2-hydroxy-1-methyl-2-phenylethyl)-n-methylacetamide

Structural Information

Molecular Formula
C12H16FNO2
SMILES
C[C@@H]([C@H](C1=CC=CC=C1)O)N(C)C(=O)CF
InChI
InChI=1S/C12H16FNO2/c1-9(14(2)11(15)8-13)12(16)10-6-4-3-5-7-10/h3-7,9,12,16H,8H2,1-2H3/t9-,12+/m0/s1
InChIKey
KSTGIVVNSIGUMP-JOYOIKCWSA-N
Compound name
2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.1165 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.12378 151.3
[M+Na]+ 248.10572 155.8
[M-H]- 224.10922 153.2
[M+NH4]+ 243.15032 168.7
[M+K]+ 264.07966 155.1
[M+H-H2O]+ 208.11376 143.8
[M+HCOO]- 270.11470 171.5
[M+CH3COO]- 284.13035 193.9
[M+Na-2H]- 246.09117 152.5
[M]+ 225.11595 149.9
[M]- 225.11705 149.9
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

No patent data available for this compound.