CID 2775922

2,3,4,5,6-pentafluorobenzeneboronic acid

Structural Information

Molecular Formula
C6H2BF5O2
SMILES
B(C1=C(C(=C(C(=C1F)F)F)F)F)(O)O
InChI
InChI=1S/C6H2BF5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h13-14H
InChIKey
VASOMTXTRMYSKD-UHFFFAOYSA-N
Compound name
(2,3,4,5,6-pentafluorophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1668
Patents

212.0068 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.01408 131.3
[M+Na]+ 234.99602 143.2
[M-H]- 210.99952 127.3
[M+NH4]+ 230.04062 149.5
[M+K]+ 250.96996 139.6
[M+H-H2O]+ 195.00406 122.7
[M+HCOO]- 257.00500 147.5
[M+CH3COO]- 271.02065 184.5
[M+Na-2H]- 232.98147 132.1
[M]+ 212.00625 124.8
[M]- 212.00735 124.8
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