CID 16218358

1072951-80-4

Structural Information

Molecular Formula
C8H8BBrO4
SMILES
B(C1=CC(=CC(=C1OC)Br)C=O)(O)O
InChI
InChI=1S/C8H8BBrO4/c1-14-8-6(9(12)13)2-5(4-11)3-7(8)10/h2-4,12-13H,1H3
InChIKey
UUPRSFVSYMWVRC-UHFFFAOYSA-N
Compound name
(3-bromo-5-formyl-2-methoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

257.9699 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.977176 143.1
[M+Na]+ 280.959118 154.8
[M-H]- 256.962624 147.3
[M+NH4]+ 276.003723 162.6
[M+K]+ 296.933058 144.1
[M+H-H2O]+ 240.967160 143.2
[M+HCOO]- 302.968101 162.1
[M+CH3COO]- 316.983751 187.5
[M+Na-2H]- 278.944566 148.1
[M]+ 257.96935142 163.0
[M]- 257.97044858 163.0
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