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

6
Patents

184.03432 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.04160 131.0
[M+Na]+ 207.02354 140.0
[M-H]- 183.02704 133.5
[M+NH4]+ 202.06814 150.0
[M+K]+ 222.99748 140.2
[M+H-H2O]+ 167.03158 126.0
[M+HCOO]- 229.03252 149.1
[M+CH3COO]- 243.04817 174.7
[M+Na-2H]- 205.00899 137.6
[M]+ 184.03377 131.1
[M]- 184.03487 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