CID 52408

73758-50-6

Structural Information

Molecular Formula
C14H18F3NO2
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NC(=O)CC(C)O
InChI
InChI=1S/C14H18F3NO2/c1-9(18-13(20)7-10(2)19)6-11-4-3-5-12(8-11)14(15,16)17/h3-5,8-10,19H,6-7H2,1-2H3,(H,18,20)
InChIKey
SQXBFBUGGHLGRI-UHFFFAOYSA-N
Compound name
3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.12897 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.13625 164.9
[M+Na]+ 312.11819 170.0
[M-H]- 288.12169 162.8
[M+NH4]+ 307.16279 179.4
[M+K]+ 328.09213 167.1
[M+H-H2O]+ 272.12623 156.2
[M+HCOO]- 334.12717 180.2
[M+CH3COO]- 348.14282 202.9
[M+Na-2H]- 310.10364 164.8
[M]+ 289.12842 160.4
[M]- 289.12952 160.4
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

No patent data available for this compound.