CID 86728485

1620846-16-3

Structural Information

Molecular Formula
C20H14F4N2O3
SMILES
CC1=C(C=CC(=C1)F)OC2=C(C=CC(=C2)C(F)(F)F)C(=O)NC3=CC(=O)NC=C3
InChI
InChI=1S/C20H14F4N2O3/c1-11-8-13(21)3-5-16(11)29-17-9-12(20(22,23)24)2-4-15(17)19(28)26-14-6-7-25-18(27)10-14/h2-10H,1H3,(H2,25,26,27,28)
InChIKey
YXHMFJXQQXHKRO-UHFFFAOYSA-N
Compound name
2-(4-fluoro-2-methylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

193
Patents

406.09406 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.10134 191.9
[M+Na]+ 429.08328 201.0
[M-H]- 405.08678 194.6
[M+NH4]+ 424.12788 200.1
[M+K]+ 445.05722 194.1
[M+H-H2O]+ 389.09132 178.6
[M+HCOO]- 451.09226 207.5
[M+CH3COO]- 465.10791 222.7
[M+Na-2H]- 427.06873 192.8
[M]+ 406.09351 187.5
[M]- 406.09461 187.5
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

patents stripe