CID 16217685

2-bromo-4,5-difluorobenzeneboronic acid

Structural Information

Molecular Formula
C6H4BBrF2O2
SMILES
B(C1=CC(=C(C=C1Br)F)F)(O)O
InChI
InChI=1S/C6H4BBrF2O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2,11-12H
InChIKey
LUHSZNLWFYNKCZ-UHFFFAOYSA-N
Compound name
(2-bromo-4,5-difluorophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

235.94559 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.95287 138.2
[M+Na]+ 258.93481 150.9
[M-H]- 234.93831 140.2
[M+NH4]+ 253.97941 158.6
[M+K]+ 274.90875 139.2
[M+H-H2O]+ 218.94285 137.3
[M+HCOO]- 280.94379 155.3
[M+CH3COO]- 294.95944 183.8
[M+Na-2H]- 256.92026 142.8
[M]+ 235.94504 153.1
[M]- 235.94614 153.1
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