CID 3806952

5-chloro-2-formylphenylboronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
Patents

184.00986 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.01714 130.9
[M+Na]+ 206.99908 140.5
[M-H]- 183.00258 132.5
[M+NH4]+ 202.04368 150.6
[M+K]+ 222.97302 136.7
[M+H-H2O]+ 167.00712 127.2
[M+HCOO]- 229.00806 148.3
[M+CH3COO]- 243.02371 174.7
[M+Na-2H]- 204.98453 135.9
[M]+ 184.00931 132.4
[M]- 184.01041 132.4
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