CID 165693071

[3-(2,2-difluoroethyl)phenyl]boronicacid

Structural Information

Molecular Formula
C8H9BF2O2
SMILES
B(C1=CC(=CC=C1)CC(F)F)(O)O
InChI
InChI=1S/C8H9BF2O2/c10-8(11)5-6-2-1-3-7(4-6)9(12)13/h1-4,8,12-13H,5H2
InChIKey
JXNVWIJSKZEPOG-UHFFFAOYSA-N
Compound name
[3-(2,2-difluoroethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.06636 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.07364 135.0
[M+Na]+ 209.05558 142.0
[M-H]- 185.05908 133.3
[M+NH4]+ 204.10018 153.3
[M+K]+ 225.02952 139.5
[M+H-H2O]+ 169.06362 128.0
[M+HCOO]- 231.06456 152.9
[M+CH3COO]- 245.08021 177.8
[M+Na-2H]- 207.04103 138.0
[M]+ 186.06581 130.7
[M]- 186.06691 130.7
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

No patent data available for this compound.