CID 71327773

90890-71-4

Structural Information

Molecular Formula
C17H16F3NO3
SMILES
CC(C)OC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F)O
InChI
InChI=1S/C17H16F3NO3/c1-10(2)24-15-9-11(7-8-14(15)22)21-16(23)12-5-3-4-6-13(12)17(18,19)20/h3-10,22H,1-2H3,(H,21,23)
InChIKey
MZWZZJVZOQEANE-UHFFFAOYSA-N
Compound name
N-(4-hydroxy-3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

339.10822 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.11550 175.2
[M+Na]+ 362.09744 182.2
[M-H]- 338.10094 176.9
[M+NH4]+ 357.14204 187.7
[M+K]+ 378.07138 178.2
[M+H-H2O]+ 322.10548 165.1
[M+HCOO]- 384.10642 192.0
[M+CH3COO]- 398.12207 211.3
[M+Na-2H]- 360.08289 176.1
[M]+ 339.10767 172.2
[M]- 339.10877 172.2
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.