CID 137963941

2346531-07-3

Structural Information

Molecular Formula
C8H8BFO2
SMILES
B1(C2=C(CO1)C=C(C=C2C)F)O
InChI
InChI=1S/C8H8BFO2/c1-5-2-7(10)3-6-4-12-9(11)8(5)6/h2-3,11H,4H2,1H3
InChIKey
ZMFKQDZBYJRDAS-UHFFFAOYSA-N
Compound name
5-fluoro-1-hydroxy-7-methyl-3H-2,1-benzoxaborole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.