CID 46739783

881381-12-0

Structural Information

Molecular Formula
C11H15BO3S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CSC(=C2)C=O
InChI
InChI=1S/C11H15BO3S/c1-10(2)11(3,4)15-12(14-10)8-5-9(6-13)16-7-8/h5-7H,1-4H3
InChIKey
TWTLMECTLHOTSN-UHFFFAOYSA-N
Compound name
4-(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

29
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

No literature data available for this compound.

Patent stripe

patents stripe