CID 71327774

90890-72-5

Structural Information

Molecular Formula
C15H12F3NO3
SMILES
COC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F)O
InChI
InChI=1S/C15H12F3NO3/c1-22-13-8-9(6-7-12(13)20)19-14(21)10-4-2-3-5-11(10)15(16,17)18/h2-8,20H,1H3,(H,19,21)
InChIKey
ITNBPXXRADXDBD-UHFFFAOYSA-N
Compound name
N-(4-hydroxy-3-methoxyphenyl)-2-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

311.07693 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.08421 166.2
[M+Na]+ 334.06615 174.4
[M-H]- 310.06965 168.3
[M+NH4]+ 329.11075 180.0
[M+K]+ 350.04009 170.2
[M+H-H2O]+ 294.07419 156.4
[M+HCOO]- 356.07513 184.8
[M+CH3COO]- 370.09078 204.4
[M+Na-2H]- 332.05160 169.3
[M]+ 311.07638 163.2
[M]- 311.07748 163.2
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.