CID 11845935

2,1-benzoxaborole, 1-ethenyl-5-fluoro-1,3-dihydro-

Structural Information

Molecular Formula
C9H8BFO
SMILES
B1(C2=C(CO1)C=C(C=C2)F)C=C
InChI
InChI=1S/C9H8BFO/c1-2-10-9-4-3-8(11)5-7(9)6-12-10/h2-5H,1,6H2
InChIKey
CIXSTUANNUNHGW-UHFFFAOYSA-N
Compound name
1-ethenyl-5-fluoro-3H-2,1-benzoxaborole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

34
Patents

162.06522 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.07250 128.2
[M+Na]+ 185.05444 138.1
[M-H]- 161.05794 132.5
[M+NH4]+ 180.09904 151.1
[M+K]+ 201.02838 136.0
[M+H-H2O]+ 145.06248 122.8
[M+HCOO]- 207.06342 150.3
[M+CH3COO]- 221.07907 177.5
[M+Na-2H]- 183.03989 134.9
[M]+ 162.06467 127.6
[M]- 162.06577 127.6
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