CID 2763246

5-acetyl-2-chlorophenylboronic acid

Structural Information

Molecular Formula
C8H8BClO3
SMILES
B(C1=C(C=CC(=C1)C(=O)C)Cl)(O)O
InChI
InChI=1S/C8H8BClO3/c1-5(11)6-2-3-8(10)7(4-6)9(12)13/h2-4,12-13H,1H3
InChIKey
QMHQVMHOGNFKMA-UHFFFAOYSA-N
Compound name
(5-acetyl-2-chlorophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

198.0255 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.03278 137.0
[M+Na]+ 221.01472 149.5
[M+NH4]+ 216.05932 144.6
[M+K]+ 236.98866 144.8
[M-H]- 197.01822 137.3
[M+Na-2H]- 219.00017 142.2
[M]+ 198.02495 139.0
[M]- 198.02605 139.0
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