CID 2756743

228107-82-2

Structural Information

Molecular Formula
C10H6F6O3
SMILES
C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(C(=O)O)O
InChI
InChI=1S/C10H6F6O3/c11-9(12,13)5-1-4(7(17)8(18)19)2-6(3-5)10(14,15)16/h1-3,7,17H,(H,18,19)
InChIKey
ZVACZNUZAKRYHT-UHFFFAOYSA-N
Compound name
2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

288.02213 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.029406 152.3
[M+Na]+ 311.011348 161.1
[M-H]- 287.014854 146.1
[M+NH4]+ 306.055953 166.5
[M+K]+ 326.985288 157.7
[M+H-H2O]+ 271.019390 142.7
[M+HCOO]- 333.020331 162.8
[M+CH3COO]- 347.035981 194.9
[M+Na-2H]- 308.996796 153.4
[M]+ 288.02158142 143.2
[M]- 288.02267858 143.2
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