CID 23730425

4-chloro-2-formylphenylboronic acid

Structural Information

Molecular Formula
C7H6BClO3
SMILES
B(C1=C(C=C(C=C1)Cl)C=O)(O)O
InChI
InChI=1S/C7H6BClO3/c9-6-1-2-7(8(11)12)5(3-6)4-10/h1-4,11-12H
InChIKey
BTQFQGHQBOWNAJ-UHFFFAOYSA-N
Compound name
(4-chloro-2-formylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

222
Patents

184.00986 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.01714 132.3
[M+Na]+ 206.99908 145.4
[M+NH4]+ 202.04368 140.2
[M+K]+ 222.97302 140.1
[M-H]- 183.00258 132.9
[M+Na-2H]- 204.98453 138.2
[M]+ 184.00931 134.5
[M]- 184.01041 134.5
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

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