CID 21979203

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

Structural Information

Molecular Formula
C8H5F3O3
SMILES
COC1=C(C(=C(C(=C1)C(=O)O)F)F)F
InChI
InChI=1S/C8H5F3O3/c1-14-4-2-3(8(12)13)5(9)7(11)6(4)10/h2H,1H3,(H,12,13)
InChIKey
CGMSFYATZQKRJY-UHFFFAOYSA-N
Compound name
2,3,4-trifluoro-5-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

206.01907 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.02635 133.5
[M+Na]+ 229.00829 144.7
[M-H]- 205.01179 133.2
[M+NH4]+ 224.05289 152.5
[M+K]+ 244.98223 142.4
[M+H-H2O]+ 189.01633 126.0
[M+HCOO]- 251.01727 153.5
[M+CH3COO]- 265.03292 184.8
[M+Na-2H]- 226.99374 136.1
[M]+ 206.01852 132.2
[M]- 206.01962 132.2
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