CID 2773278

[2-(bromomethyl)phenyl]boronic acid

Structural Information

Molecular Formula
C7H8BBrO2
SMILES
B(C1=CC=CC=C1CBr)(O)O
InChI
InChI=1S/C7H8BBrO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,10-11H,5H2
InChIKey
MYVJCOQGXCONPE-UHFFFAOYSA-N
Compound name
[2-(bromomethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

425
Patents

213.98007 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.98735 136.7
[M+Na]+ 236.96929 147.3
[M-H]- 212.97279 140.5
[M+NH4]+ 232.01389 157.6
[M+K]+ 252.94323 136.2
[M+H-H2O]+ 196.97733 137.3
[M+HCOO]- 258.97827 155.6
[M+CH3COO]- 272.99392 179.3
[M+Na-2H]- 234.95474 143.5
[M]+ 213.97952 153.6
[M]- 213.98062 153.6
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