CID 2755654

(2s)-3-(4-hydroxyphenyl)-2-(trifluoroacetamido)propanoic acid

Structural Information

Molecular Formula
C11H10F3NO4
SMILES
C1=CC(=CC=C1C[C@@H](C(=O)O)NC(=O)C(F)(F)F)O
InChI
InChI=1S/C11H10F3NO4/c12-11(13,14)10(19)15-8(9(17)18)5-6-1-3-7(16)4-2-6/h1-4,8,16H,5H2,(H,15,19)(H,17,18)/t8-/m0/s1
InChIKey
MSIICIIOIIEGNY-QMMMGPOBSA-N
Compound name
(2S)-3-(4-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

277.05618 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.06346 155.3
[M+Na]+ 300.04540 161.2
[M-H]- 276.04890 152.2
[M+NH4]+ 295.09000 169.2
[M+K]+ 316.01934 158.7
[M+H-H2O]+ 260.05344 146.9
[M+HCOO]- 322.05438 170.7
[M+CH3COO]- 336.07003 194.9
[M+Na-2H]- 298.03085 156.5
[M]+ 277.05563 149.9
[M]- 277.05673 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

No literature data available for this compound.

Patent stripe

patents stripe