CID 138754870

5-fluoro-3,3-dimethyl-1,3-dihydro-2,1-benzoxaborol-1-ol

Structural Information

Molecular Formula
C9H10BFO2
SMILES
B1(C2=C(C=C(C=C2)F)C(O1)(C)C)O
InChI
InChI=1S/C9H10BFO2/c1-9(2)7-5-6(11)3-4-8(7)10(12)13-9/h3-5,12H,1-2H3
InChIKey
IGUVLXXQOCMYQF-UHFFFAOYSA-N
Compound name
5-fluoro-1-hydroxy-3,3-dimethyl-2,1-benzoxaborole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.07579 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08307 131.9
[M+Na]+ 203.06501 142.9
[M-H]- 179.06851 135.6
[M+NH4]+ 198.10961 155.8
[M+K]+ 219.03895 141.1
[M+H-H2O]+ 163.07305 127.5
[M+HCOO]- 225.07399 152.5
[M+CH3COO]- 239.08964 178.5
[M+Na-2H]- 201.05046 138.7
[M]+ 180.07524 132.4
[M]- 180.07634 132.4
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.