CID 2783275

2,3,5,6-tetrafluorobenzeneboronic acid

Structural Information

Molecular Formula
C6H3BF4O2
SMILES
B(C1=C(C(=CC(=C1F)F)F)F)(O)O
InChI
InChI=1S/C6H3BF4O2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1,12-13H
InChIKey
SORPNEUIIZJCBF-UHFFFAOYSA-N
Compound name
(2,3,5,6-tetrafluorophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

194.01622 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.02350 129.0
[M+Na]+ 217.00544 140.0
[M-H]- 193.00894 126.0
[M+NH4]+ 212.05004 147.8
[M+K]+ 232.97938 136.8
[M+H-H2O]+ 177.01348 121.1
[M+HCOO]- 239.01442 146.4
[M+CH3COO]- 253.03007 180.3
[M+Na-2H]- 214.99089 131.1
[M]+ 194.01567 123.4
[M]- 194.01677 123.4
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