CID 17856550

325786-24-1

Structural Information

Molecular Formula
C8H7BClFO4
SMILES
B(C1=CC(=C(C=C1F)Cl)C(=O)OC)(O)O
InChI
InChI=1S/C8H7BClFO4/c1-15-8(12)4-2-5(9(13)14)7(11)3-6(4)10/h2-3,13-14H,1H3
InChIKey
XKBKUIKMZBFWFF-UHFFFAOYSA-N
Compound name
(4-chloro-2-fluoro-5-methoxycarbonylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

232.011 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.01828 142.5
[M+Na]+ 255.00022 153.7
[M+NH4]+ 250.04482 148.6
[M+K]+ 270.97416 149.9
[M-H]- 231.00372 140.7
[M+Na-2H]- 252.98567 146.1
[M]+ 232.01045 143.5
[M]- 232.01155 143.5
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