CID 11845748

5-fluoro-3-methylbenzo[c][1,2]oxaborol-1(3h)-ol

Structural Information

Molecular Formula
C8H8BFO2
SMILES
B1(C2=C(C=C(C=C2)F)C(O1)C)O
InChI
InChI=1S/C8H8BFO2/c1-5-7-4-6(10)2-3-8(7)9(11)12-5/h2-5,11H,1H3
InChIKey
LWINTJPRLPNUPE-UHFFFAOYSA-N
Compound name
5-fluoro-1-hydroxy-3-methyl-3H-2,1-benzoxaborole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

116
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 138.5
[M-H]- 165.05285 131.6
[M+NH4]+ 184.09395 150.4
[M+K]+ 205.02329 136.9
[M+H-H2O]+ 149.05739 123.1
[M+HCOO]- 211.05833 149.0
[M+CH3COO]- 225.07398 175.9
[M+Na-2H]- 187.03480 134.2
[M]+ 166.05958 127.9
[M]- 166.06068 127.9
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