CID 16414195

953410-99-6

Structural Information

Molecular Formula
C15H17BO3S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(S2)C=CC(=C3)C=O
InChI
InChI=1S/C15H17BO3S/c1-14(2)15(3,4)19-16(18-14)13-8-11-7-10(9-17)5-6-12(11)20-13/h5-9H,1-4H3
InChIKey
ZHGWYHIXAPDOAP-UHFFFAOYSA-N
Compound name
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzothiophene-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

288.09915 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10643 160.5
[M+Na]+ 311.08837 173.5
[M+NH4]+ 306.13297 172.4
[M+K]+ 327.06231 165.4
[M-H]- 287.09187 166.8
[M+Na-2H]- 309.07382 167.9
[M]+ 288.09860 165.2
[M]- 288.09970 165.2
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

patents stripe