CID 2777946

2,3,5-trifluorophenylacetic acid

Structural Information

Molecular Formula
C8H5F3O2
SMILES
C1=C(C=C(C(=C1CC(=O)O)F)F)F
InChI
InChI=1S/C8H5F3O2/c9-5-1-4(2-7(12)13)8(11)6(10)3-5/h1,3H,2H2,(H,12,13)
InChIKey
HHVKNKDKNBABCU-UHFFFAOYSA-N
Compound name
2-(2,3,5-trifluorophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

190.02417 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.03145 131.2
[M+Na]+ 213.01339 141.5
[M-H]- 189.01689 130.5
[M+NH4]+ 208.05799 150.6
[M+K]+ 228.98733 138.6
[M+H-H2O]+ 173.02143 123.7
[M+HCOO]- 235.02237 151.0
[M+CH3COO]- 249.03802 181.4
[M+Na-2H]- 210.99884 134.4
[M]+ 190.02362 128.0
[M]- 190.02472 128.0
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