CID 17856550

4-chloro-2-fluoro-5-methoxycarbonylphenylboronic acid

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 139.3
[M+Na]+ 255.00022 149.3
[M-H]- 231.00372 140.0
[M+NH4]+ 250.04482 157.4
[M+K]+ 270.97416 145.9
[M+H-H2O]+ 215.00826 134.7
[M+HCOO]- 277.00920 154.7
[M+CH3COO]- 291.02485 184.1
[M+Na-2H]- 252.98567 141.6
[M]+ 232.01045 141.4
[M]- 232.01155 141.4
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

patents stripe