CID 66520034

1473358-18-7

Structural Information

Molecular Formula
C13H21BO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(S2)CCC
InChI
InChI=1S/C13H21BO2S/c1-6-7-10-8-9-11(17-10)14-15-12(2,3)13(4,5)16-14/h8-9H,6-7H2,1-5H3
InChIKey
XKMQRGFUOWEBLS-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(5-propylthiophen-2-yl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

252.13553 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.14281 151.4
[M+Na]+ 275.12475 161.2
[M-H]- 251.12825 160.4
[M+NH4]+ 270.16935 175.0
[M+K]+ 291.09869 161.1
[M+H-H2O]+ 235.13279 149.1
[M+HCOO]- 297.13373 168.5
[M+CH3COO]- 311.14938 192.9
[M+Na-2H]- 273.11020 153.2
[M]+ 252.13498 157.8
[M]- 252.13608 157.8
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