CID 23005425

279261-82-4

Structural Information

Molecular Formula
C8H10BFO3
SMILES
B(C1=C(C=C(C=C1)OCC)F)(O)O
InChI
InChI=1S/C8H10BFO3/c1-2-13-6-3-4-7(9(11)12)8(10)5-6/h3-5,11-12H,2H2,1H3
InChIKey
OPBZIEMMNXUXAK-UHFFFAOYSA-N
Compound name
(4-ethoxy-2-fluorophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

184.07071 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07799 134.6
[M+Na]+ 207.05993 142.7
[M-H]- 183.06343 134.7
[M+NH4]+ 202.10453 153.5
[M+K]+ 223.03387 140.8
[M+H-H2O]+ 167.06797 128.6
[M+HCOO]- 229.06891 154.9
[M+CH3COO]- 243.08456 177.4
[M+Na-2H]- 205.04538 138.8
[M]+ 184.07016 134.0
[M]- 184.07126 134.0
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