CID 11845934

6-fluoro-3,4-dihydro-1h-2,1-benzoxaborinin-1-ol

Structural Information

Molecular Formula
C8H8BFO2
SMILES
B1(C2=C(CCO1)C=C(C=C2)F)O
InChI
InChI=1S/C8H8BFO2/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-2,5,11H,3-4H2
InChIKey
OBHRHSYGQBYLNH-UHFFFAOYSA-N
Compound name
6-fluoro-1-hydroxy-3,4-dihydro-2,1-benzoxaborinine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

119
Patents

166.06013 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.06741 128.1
[M+Na]+ 189.04935 136.6
[M-H]- 165.05285 130.9
[M+NH4]+ 184.09395 148.1
[M+K]+ 205.02329 135.1
[M+H-H2O]+ 149.05739 122.1
[M+HCOO]- 211.05833 146.9
[M+CH3COO]- 225.07398 175.2
[M+Na-2H]- 187.03480 136.4
[M]+ 166.05958 125.3
[M]- 166.06068 125.3
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