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

47028
Patents

323.1133 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.12058 172.3
[M+Na]+ 346.10252 178.9
[M-H]- 322.10602 175.0
[M+NH4]+ 341.14712 185.9
[M+K]+ 362.07646 175.0
[M+H-H2O]+ 306.11056 161.9
[M+HCOO]- 368.11150 190.4
[M+CH3COO]- 382.12715 210.3
[M+Na-2H]- 344.08797 174.2
[M]+ 323.11275 169.3
[M]- 323.11385 169.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.