CID 132342001

2428622-02-8

Structural Information

Molecular Formula
C7H6BFO4
SMILES
B(C1=C(C=CC2=C1OCO2)F)(O)O
InChI
InChI=1S/C7H6BFO4/c9-4-1-2-5-7(13-3-12-5)6(4)8(10)11/h1-2,10-11H,3H2
InChIKey
IHXOLTYMARHWGN-UHFFFAOYSA-N
Compound name
(5-fluoro-1,3-benzodioxol-4-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

184.03432 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.041596 131.0
[M+Na]+ 207.023538 140.0
[M-H]- 183.027044 133.5
[M+NH4]+ 202.068143 150.0
[M+K]+ 222.997478 140.2
[M+H-H2O]+ 167.031580 126.0
[M+HCOO]- 229.032521 149.1
[M+CH3COO]- 243.048171 174.7
[M+Na-2H]- 205.008986 137.6
[M]+ 184.03377142 131.1
[M]- 184.03486858 131.1
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

patents stripe