CID 57415686

1040281-83-1

Structural Information

Molecular Formula
C11H15BO3S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(S2)C=O
InChI
InChI=1S/C11H15BO3S/c1-10(2)11(3,4)15-12(14-10)9-6-5-8(7-13)16-9/h5-7H,1-4H3
InChIKey
OVGYVJMTHQRCDB-UHFFFAOYSA-N
Compound name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

238.0835 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09078 145.2
[M+Na]+ 261.07272 155.9
[M-H]- 237.07622 154.5
[M+NH4]+ 256.11732 169.1
[M+K]+ 277.04666 156.2
[M+H-H2O]+ 221.08076 143.3
[M+HCOO]- 283.08170 163.4
[M+CH3COO]- 297.09735 188.3
[M+Na-2H]- 259.05817 148.2
[M]+ 238.08295 151.7
[M]- 238.08405 151.7
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