CID 45786336

1979157-06-6

Structural Information

Molecular Formula
C13H19BO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(S2)C3CC3
InChI
InChI=1S/C13H19BO2S/c1-12(2)13(3,4)16-14(15-12)11-8-7-10(17-11)9-5-6-9/h7-9H,5-6H2,1-4H3
InChIKey
GGFYXFSRHYPEQE-UHFFFAOYSA-N
Compound name
2-(5-cyclopropylthiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

250.11989 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12717 143.6
[M+Na]+ 273.10911 154.6
[M-H]- 249.11261 156.2
[M+NH4]+ 268.15371 162.0
[M+K]+ 289.08305 155.6
[M+H-H2O]+ 233.11715 141.2
[M+HCOO]- 295.11809 160.0
[M+CH3COO]- 309.13374 158.3
[M+Na-2H]- 271.09456 146.2
[M]+ 250.11934 151.4
[M]- 250.12044 151.4
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