CID 2773283

214360-74-4

Structural Information

Molecular Formula
C13H18BBrO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CBr
InChI
InChI=1S/C13H18BBrO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-6-10(8-11)9-15/h5-8H,9H2,1-4H3
InChIKey
WUIYGXGXVOHAFW-UHFFFAOYSA-N
Compound name
2-[3-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

296.05832 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.06560 157.0
[M+Na]+ 319.04754 169.4
[M-H]- 295.05104 168.0
[M+NH4]+ 314.09214 179.8
[M+K]+ 335.02148 161.2
[M+H-H2O]+ 279.05558 159.0
[M+HCOO]- 341.05652 175.8
[M+CH3COO]- 355.07217 198.3
[M+Na-2H]- 317.03299 164.0
[M]+ 296.05777 178.8
[M]- 296.05887 178.8
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