CID 23005334

4-chloro-3-(methoxycarbonyl)phenylboronic acid

Structural Information

Molecular Formula
C8H8BClO4
SMILES
B(C1=CC(=C(C=C1)Cl)C(=O)OC)(O)O
InChI
InChI=1S/C8H8BClO4/c1-14-8(11)6-4-5(9(12)13)2-3-7(6)10/h2-4,12-13H,1H3
InChIKey
YEPWHDGFBVDINZ-UHFFFAOYSA-N
Compound name
(4-chloro-3-methoxycarbonylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

139
Patents

214.02042 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.02770 139.9
[M+Na]+ 237.00964 151.8
[M+NH4]+ 232.05424 146.9
[M+K]+ 252.98358 147.7
[M-H]- 213.01314 139.6
[M+Na-2H]- 234.99509 144.6
[M]+ 214.01987 141.6
[M]- 214.02097 141.6
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