CID 47898

Flutolanil

Structural Information

Molecular Formula

C₁₇H₁₆F₃NO₂

SMILES

CC(C)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)

InChIKey

PTCGDEVVHUXTMP-UHFFFAOYSA-N

Compound name

N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 51
References: 47269
Patents: 323.1133 Da
Monoisotopic Mass: 3.7
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]+	324.120576	172.3
[M+Na]+	346.102518	178.9
[M-H]-	322.106024	175.0
[M+NH4]+	341.147123	185.9
[M+K]+	362.076458	175.0
[M+H-H2O]+	306.110560	161.9
[M+HCOO]-	368.111501	190.4
[M+CH3COO]-	382.127151	210.3
[M+Na-2H]-	344.087966	174.2
[M]+	323.11275142	169.3
[M]-	323.11384858	169.3

Literature stripe

literature stripe

Patent stripe

patents stripe