CID 167718430

En300-44828716

Structural Information

Molecular Formula
C15H17BO3S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)C=C(S3)C=O
InChI
InChI=1S/C15H17BO3S/c1-14(2)15(3,4)19-16(18-14)12-7-5-6-10-8-11(9-17)20-13(10)12/h5-9H,1-4H3
InChIKey
IFMVOBNLUKULTC-UHFFFAOYSA-N
Compound name
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzothiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.09915 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10643 158.9
[M+Na]+ 311.08837 171.6
[M-H]- 287.09187 169.7
[M+NH4]+ 306.13297 182.3
[M+K]+ 327.06231 170.2
[M+H-H2O]+ 271.09641 156.3
[M+HCOO]- 333.09735 177.2
[M+CH3COO]- 347.11300 174.0
[M+Na-2H]- 309.07382 162.6
[M]+ 288.09860 167.7
[M]- 288.09970 167.7
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.