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 139.4
[M+Na]+ 237.03410 146.8
[M-H]- 213.03760 138.1
[M+NH4]+ 232.07870 155.9
[M+K]+ 253.00804 145.1
[M+H-H2O]+ 197.04214 133.2
[M+HCOO]- 259.04308 157.7
[M+CH3COO]- 273.05873 179.5
[M+Na-2H]- 235.01955 141.9
[M]+ 214.04433 138.5
[M]- 214.04543 138.5
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