CID 24965209

943310-74-5

Structural Information

Molecular Formula
C12H16BFO4
SMILES
B(C1=C(C=C(C=C1)F)COC2CCCCO2)(O)O
InChI
InChI=1S/C12H16BFO4/c14-10-4-5-11(13(15)16)9(7-10)8-18-12-3-1-2-6-17-12/h4-5,7,12,15-16H,1-3,6,8H2
InChIKey
FHFBJUNCKKKUHE-UHFFFAOYSA-N
Compound name
[4-fluoro-2-(oxan-2-yloxymethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

254.11256 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11984 154.5
[M+Na]+ 277.10178 159.1
[M-H]- 253.10528 157.2
[M+NH4]+ 272.14638 168.4
[M+K]+ 293.07572 157.7
[M+H-H2O]+ 237.10982 146.7
[M+HCOO]- 299.11076 169.8
[M+CH3COO]- 313.12641 188.6
[M+Na-2H]- 275.08723 157.1
[M]+ 254.11201 150.7
[M]- 254.11311 150.7
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

patents stripe