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

No literature data available for this compound.

Patent stripe

patents stripe