CID 172644201

Cs-29337

Structural Information

Molecular Formula
C12H19BO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(SC=C2)CC
InChI
InChI=1S/C12H19BO2S/c1-6-10-9(7-8-16-10)13-14-11(2,3)12(4,5)15-13/h7-8H,6H2,1-5H3
InChIKey
FXZMSBWKDJBNHJ-UHFFFAOYSA-N
Compound name
2-(2-ethylthiophen-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.11989 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.12717 146.9
[M+Na]+ 261.10911 157.2
[M-H]- 237.11261 156.1
[M+NH4]+ 256.15371 171.1
[M+K]+ 277.08305 157.3
[M+H-H2O]+ 221.11715 144.8
[M+HCOO]- 283.11809 164.4
[M+CH3COO]- 297.13374 190.0
[M+Na-2H]- 259.09456 149.2
[M]+ 238.11934 153.0
[M]- 238.12044 153.0
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

No patent data available for this compound.