CID 53398053

916454-59-6

Structural Information

Molecular Formula
C11H14BNO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CS2)C#N
InChI
InChI=1S/C11H14BNO2S/c1-10(2)11(3,4)15-12(14-10)9-5-8(6-13)7-16-9/h5,7H,1-4H3
InChIKey
OXYRAUHWTSONAV-UHFFFAOYSA-N
Compound name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

235.08383 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09111 147.4
[M+Na]+ 258.07305 161.1
[M-H]- 234.07655 155.9
[M+NH4]+ 253.11765 169.3
[M+K]+ 274.04699 158.5
[M+H-H2O]+ 218.08109 138.1
[M+HCOO]- 280.08203 162.2
[M+CH3COO]- 294.09768 199.6
[M+Na-2H]- 256.05850 150.4
[M]+ 235.08328 147.9
[M]- 235.08438 147.9
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