CID 140830488

2170848-99-2

Structural Information

Molecular Formula
C10H9BFO5
SMILES
[B-]1([C@@H]2C[C@@H]2C3=C(O1)C(=C(C=C3)F)C(=O)O)(O)O
InChI
InChI=1S/C10H9BFO5/c12-7-2-1-4-5-3-6(5)11(15,16)17-9(4)8(7)10(13)14/h1-2,5-6,15-16H,3H2,(H,13,14)/q-1/t5-,6-/m1/s1
InChIKey
RYSXSDTTWIWNFW-PHDIDXHHSA-N
Compound name
(2S,4R)-9-fluoro-5,5-dihydroxy-6-oxa-5-boranuidatricyclo[5.4.0.02,4]undeca-1(7),8,10-triene-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

239.0527 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.05998 141.8
[M+Na]+ 262.04192 152.8
[M-H]- 238.04542 142.7
[M+NH4]+ 257.08652 155.2
[M+K]+ 278.01586 149.7
[M+H-H2O]+ 222.04996 138.9
[M+HCOO]- 284.05090 155.0
[M+CH3COO]- 298.06655 185.4
[M+Na-2H]- 260.02737 148.1
[M]+ 239.05215 142.3
[M]- 239.05325 142.3
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

No patent data available for this compound.