CID 22606

Brn 2400001

Structural Information

Molecular Formula
C17H14F3NO4
SMILES
CC1=CC(=C(C=C1)OCC(=O)O)NC(=O)C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C17H14F3NO4/c1-10-5-6-14(25-9-15(22)23)13(7-10)21-16(24)11-3-2-4-12(8-11)17(18,19)20/h2-8H,9H2,1H3,(H,21,24)(H,22,23)
InChIKey
ITXKMRBMLMHYQO-UHFFFAOYSA-N
Compound name
2-[4-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.0875 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.094776 176.8
[M+Na]+ 376.076718 183.9
[M-H]- 352.080224 178.5
[M+NH4]+ 371.121323 188.5
[M+K]+ 392.050658 180.0
[M+H-H2O]+ 336.084760 166.6
[M+HCOO]- 398.085701 194.0
[M+CH3COO]- 412.101351 212.7
[M+Na-2H]- 374.062166 177.9
[M]+ 353.08695142 174.6
[M]- 353.08804858 174.6
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.