CID 177852

Zd-6169

Structural Information

Molecular Formula
C17H14F3NO3
SMILES
C[C@](C(=O)NC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)(C(F)(F)F)O
InChI
InChI=1S/C17H14F3NO3/c1-16(24,17(18,19)20)15(23)21-13-9-7-12(8-10-13)14(22)11-5-3-2-4-6-11/h2-10,24H,1H3,(H,21,23)/t16-/m0/s1
InChIKey
LVEDGSIMCSQNNX-INIZCTEOSA-N
Compound name
(2S)-N-(4-benzoylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

42
References

57
Patents

337.0926 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.09988 173.1
[M+Na]+ 360.08182 178.9
[M-H]- 336.08532 174.4
[M+NH4]+ 355.12642 185.0
[M+K]+ 376.05576 174.8
[M+H-H2O]+ 320.08986 163.3
[M+HCOO]- 382.09080 188.5
[M+CH3COO]- 396.10645 208.4
[M+Na-2H]- 358.06727 176.5
[M]+ 337.09205 168.0
[M]- 337.09315 168.0
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