CID 59470533

676596-97-7

Structural Information

Molecular Formula

C₁₃H₁₉BrO₂Si

SMILES

CC(C)(C)[Si](C)(C)OC1=C(C=C(C=C1)C=O)Br

InChI

InChI=1S/C13H19BrO2Si/c1-13(2,3)17(4,5)16-12-7-6-10(9-15)8-11(12)14/h6-9H,1-5H3

InChIKey

LBSTYZUVJAOGCQ-UHFFFAOYSA-N

Compound name

3-bromo-4-[tert-butyl(dimethyl)silyl]oxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 314.03378 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	315.04106	164.1
[M+Na]+	337.02300	175.4
[M-H]-	313.02650	170.5
[M+NH4]+	332.06760	183.8
[M+K]+	352.99694	164.6
[M+H-H2O]+	297.03104	164.5
[M+HCOO]-	359.03198	182.0
[M+CH3COO]-	373.04763	201.4
[M+Na-2H]-	335.00845	170.5
[M]+	314.03323	186.0
[M]-	314.03433	186.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe