CID 44717594

913835-56-0

Structural Information

Molecular Formula
C8H8BFO5
SMILES
B(C1=CC(=CC(=C1)F)OCC(=O)O)(O)O
InChI
InChI=1S/C8H8BFO5/c10-6-1-5(9(13)14)2-7(3-6)15-4-8(11)12/h1-3,13-14H,4H2,(H,11,12)
InChIKey
AZIUTOMDLIOGHF-UHFFFAOYSA-N
Compound name
2-(3-borono-5-fluorophenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

214.04488 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.05216 142.7
[M+Na]+ 237.03410 151.7
[M+NH4]+ 232.07870 147.5
[M+K]+ 253.00804 149.2
[M-H]- 213.03760 139.7
[M+Na-2H]- 235.01955 145.2
[M]+ 214.04433 142.6
[M]- 214.04543 142.6
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