CID 2779329

2,4,6-trifluorophenylboronic acid

Structural Information

Molecular Formula
C6H4BF3O2
SMILES
B(C1=C(C=C(C=C1F)F)F)(O)O
InChI
InChI=1S/C6H4BF3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,11-12H
InChIKey
IPEIGKHHSZFAEW-UHFFFAOYSA-N
Compound name
(2,4,6-trifluorophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

218
Patents

176.02565 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.03293 136.4
[M+Na]+ 199.01487 145.8
[M+NH4]+ 194.05947 141.9
[M+K]+ 214.98881 141.5
[M-H]- 175.01837 133.0
[M+Na-2H]- 197.00032 139.6
[M]+ 176.02510 136.4
[M]- 176.02620 136.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe