CID 46739003

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

Structural Information

Molecular Formula
C6H4BF3O3
SMILES
B(C1=C(C(=C(C=C1F)F)O)F)(O)O
InChI
InChI=1S/C6H4BF3O3/c8-2-1-3(9)6(11)5(10)4(2)7(12)13/h1,11-13H
InChIKey
LKUKEGVNXUPRQC-UHFFFAOYSA-N
Compound name
(2,4,6-trifluoro-3-hydroxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

192.02055 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.02783 130.0
[M+Na]+ 215.00977 140.5
[M-H]- 191.01327 127.0
[M+NH4]+ 210.05437 148.2
[M+K]+ 230.98371 137.3
[M+H-H2O]+ 175.01781 123.1
[M+HCOO]- 237.01875 147.2
[M+CH3COO]- 251.03440 177.1
[M+Na-2H]- 212.99522 132.2
[M]+ 192.02000 125.2
[M]- 192.02110 125.2
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