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

27
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

No literature data available for this compound.

Patent stripe

patents stripe