CID 57589940

957344-92-2

Structural Information

Molecular Formula
C11H16BNO3S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(S2)C(=O)N
InChI
InChI=1S/C11H16BNO3S/c1-10(2)11(3,4)16-12(15-10)8-6-5-7(17-8)9(13)14/h5-6H,1-4H3,(H2,13,14)
InChIKey
SQHNPVGOAXWLAM-UHFFFAOYSA-N
Compound name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

253.09439 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.10167 153.8
[M+Na]+ 276.08361 162.3
[M+NH4]+ 271.12821 164.1
[M+K]+ 292.05755 157.1
[M-H]- 252.08711 158.5
[M+Na-2H]- 274.06906 159.2
[M]+ 253.09384 156.9
[M]- 253.09494 156.9
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