CID 71327772

90890-70-3

Structural Information

Molecular Formula
C17H16F3NO3
SMILES
CC(CO)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C17H16F3NO3/c1-11(10-22)24-13-6-4-5-12(9-13)21-16(23)14-7-2-3-8-15(14)17(18,19)20/h2-9,11,22H,10H2,1H3,(H,21,23)
InChIKey
KOCLZKSIDCIFDY-UHFFFAOYSA-N
Compound name
N-[3-(1-hydroxypropan-2-yloxy)phenyl]-2-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

339.10822 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.11550 175.3
[M+Na]+ 362.09744 181.4
[M-H]- 338.10094 176.6
[M+NH4]+ 357.14204 187.5
[M+K]+ 378.07138 177.3
[M+H-H2O]+ 322.10548 165.0
[M+HCOO]- 384.10642 192.2
[M+CH3COO]- 398.12207 210.0
[M+Na-2H]- 360.08289 176.9
[M]+ 339.10767 171.9
[M]- 339.10877 171.9
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.