CID 45158762

958452-33-0

Structural Information

Molecular Formula
C8H9BF2O3
SMILES
B(C1=CC(=CC=C1)OCC(F)F)(O)O
InChI
InChI=1S/C8H9BF2O3/c10-8(11)5-14-7-3-1-2-6(4-7)9(12)13/h1-4,8,12-13H,5H2
InChIKey
RPRWURPVNIXBNV-UHFFFAOYSA-N
Compound name
[3-(2,2-difluoroethoxy)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

202.06128 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.06856 137.9
[M+Na]+ 225.05050 144.9
[M-H]- 201.05400 136.3
[M+NH4]+ 220.09510 155.5
[M+K]+ 241.02444 142.9
[M+H-H2O]+ 185.05854 130.7
[M+HCOO]- 247.05948 156.1
[M+CH3COO]- 261.07513 179.9
[M+Na-2H]- 223.03595 140.9
[M]+ 202.06073 135.1
[M]- 202.06183 135.1
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