CID 57497241

(3-chloro-2-formylphenyl)boronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
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

No literature data available for this compound.

Patent stripe

patents stripe