CID 17750796

3-methoxy-2,4,6-trifluorobenzoic acid

Structural Information

Molecular Formula

C₈H₅F₃O₃

SMILES

COC1=C(C=C(C(=C1F)C(=O)O)F)F

InChI

InChI=1S/C8H5F3O3/c1-14-7-4(10)2-3(9)5(6(7)11)8(12)13/h2H,1H3,(H,12,13)

InChIKey

HBJGDRQQDGUBGN-UHFFFAOYSA-N

Compound name

2,4,6-trifluoro-3-methoxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 206.01907 Da
Monoisotopic Mass: 1.7
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]+	207.02635	145.0
[M+Na]+	229.00829	154.5
[M+NH4]+	224.05289	149.8
[M+K]+	244.98223	150.2
[M-H]-	205.01179	141.3
[M+Na-2H]-	226.99374	147.6
[M]+	206.01852	144.9
[M]-	206.01962	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe