CID 91882678

5-(dihydroxyboranyl)-2-(trifluoromethyl)benzoic acid

Structural Information

Molecular Formula
C8H6BF3O4
SMILES
B(C1=CC(=C(C=C1)C(F)(F)F)C(=O)O)(O)O
InChI
InChI=1S/C8H6BF3O4/c10-8(11,12)6-2-1-4(9(15)16)3-5(6)7(13)14/h1-3,15-16H,(H,13,14)
InChIKey
QOSYAACNUHELBO-UHFFFAOYSA-N
Compound name
5-borono-2-(trifluoromethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.03113 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.03841 150.1
[M+Na]+ 257.02035 156.8
[M+NH4]+ 252.06495 153.3
[M+K]+ 272.99429 155.0
[M-H]- 233.02385 144.0
[M+Na-2H]- 255.00580 151.1
[M]+ 234.03058 148.7
[M]- 234.03168 148.7
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.