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]+ 340.115496 175.2
[M+Na]+ 362.097438 182.2
[M-H]- 338.100944 176.9
[M+NH4]+ 357.142043 187.7
[M+K]+ 378.071378 178.2
[M+H-H2O]+ 322.105480 165.1
[M+HCOO]- 384.106421 192.0
[M+CH3COO]- 398.122071 211.3
[M+Na-2H]- 360.082886 176.1
[M]+ 339.10767142 172.2
[M]- 339.10876858 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.