CID 139598089

Flutolanil m-5 hdp

Structural Information

Molecular Formula

C₁₄H₁₀F₃NO₃

SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC(=C(C=C2)O)O)C(F)(F)F

InChI

InChI=1S/C14H10F3NO3/c15-14(16,17)10-4-2-1-3-9(10)13(21)18-8-5-6-11(19)12(20)7-8/h1-7,19-20H,(H,18,21)

InChIKey

YTWSYFMRWSRSNT-UHFFFAOYSA-N

Compound name

N-(3,4-dihydroxyphenyl)-2-(trifluoromethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 297.06128 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	298.068556	161.7
[M+Na]+	320.050498	169.8
[M-H]-	296.054004	162.5
[M+NH4]+	315.095103	175.3
[M+K]+	336.024438	165.1
[M+H-H2O]+	280.058540	152.4
[M+HCOO]-	342.059481	179.0
[M+CH3COO]-	356.075131	199.1
[M+Na-2H]-	318.035946	164.9
[M]+	297.06073142	156.4
[M]-	297.06182858	156.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.