CID 11845746

905710-47-6

Structural Information

Molecular Formula
C11H8BFO2
SMILES
B1(C2=C(CO1)C=C(C=C2)F)C3=COC=C3
InChI
InChI=1S/C11H8BFO2/c13-10-1-2-11-8(5-10)6-15-12(11)9-3-4-14-7-9/h1-5,7H,6H2
InChIKey
FFGFXTUHVJRIFJ-UHFFFAOYSA-N
Compound name
5-fluoro-1-(furan-3-yl)-3H-2,1-benzoxaborole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

202.06013 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.06741 137.0
[M+Na]+ 225.04935 147.1
[M-H]- 201.05285 145.4
[M+NH4]+ 220.09395 158.3
[M+K]+ 241.02329 146.2
[M+H-H2O]+ 185.05739 131.8
[M+HCOO]- 247.05833 159.8
[M+CH3COO]- 261.07398 152.1
[M+Na-2H]- 223.03480 142.8
[M]+ 202.05958 138.3
[M]- 202.06068 138.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe