CID 16217877

849062-13-1

Structural Information

Molecular Formula
C13H12BFO3
SMILES
B(C1=CC(=CC=C1)OCC2=CC=CC=C2F)(O)O
InChI
InChI=1S/C13H12BFO3/c15-13-7-2-1-4-10(13)9-18-12-6-3-5-11(8-12)14(16)17/h1-8,16-17H,9H2
InChIKey
CPTYKSHXZNSHLB-UHFFFAOYSA-N
Compound name
[3-[(2-fluorophenyl)methoxy]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

246.08635 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.09363 154.1
[M+Na]+ 269.07557 166.9
[M+NH4]+ 264.12017 161.4
[M+K]+ 285.04951 160.6
[M-H]- 245.07907 156.0
[M+Na-2H]- 267.06102 161.6
[M]+ 246.08580 156.3
[M]- 246.08690 156.3
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