CID 167737561

3-bromo-5-[2-(trimethylsilyl)ethynyl]benzaldehyde

Structural Information

Molecular Formula
C12H13BrOSi
SMILES
C[Si](C)(C)C#CC1=CC(=CC(=C1)C=O)Br
InChI
InChI=1S/C12H13BrOSi/c1-15(2,3)5-4-10-6-11(9-14)8-12(13)7-10/h6-9H,1-3H3
InChIKey
AFWSKWREYLMHJX-UHFFFAOYSA-N
Compound name
3-bromo-5-(2-trimethylsilylethynyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.9919 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.99918 154.2
[M+Na]+ 302.98112 168.3
[M-H]- 278.98462 158.1
[M+NH4]+ 298.02572 172.9
[M+K]+ 318.95506 155.4
[M+H-H2O]+ 262.98916 148.6
[M+HCOO]- 324.99010 170.8
[M+CH3COO]- 339.00575 200.9
[M+Na-2H]- 300.96657 159.3
[M]+ 279.99135 167.1
[M]- 279.99245 167.1
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

No patent data available for this compound.