CID 74299

4-chlorophenylboronic acid

Structural Information

Molecular Formula
C6H6BClO2
SMILES
B(C1=CC=C(C=C1)Cl)(O)O
InChI
InChI=1S/C6H6BClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H
InChIKey
CAYQIZIAYYNFCS-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

15361
Patents

156.01494 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.02222 125.2
[M+Na]+ 179.00416 134.2
[M-H]- 155.00766 126.7
[M+NH4]+ 174.04876 146.0
[M+K]+ 194.97810 130.6
[M+H-H2O]+ 139.01220 121.7
[M+HCOO]- 201.01314 142.6
[M+CH3COO]- 215.02879 169.3
[M+Na-2H]- 176.98961 131.5
[M]+ 156.01439 125.3
[M]- 156.01549 125.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe