CID 132398453

2-[(5-chlorothiophen-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C11H16BClO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)CC2=CC=C(S2)Cl
InChI
InChI=1S/C11H16BClO2S/c1-10(2)11(3,4)15-12(14-10)7-8-5-6-9(13)16-8/h5-6H,7H2,1-4H3
InChIKey
UPBKQZSSOMTEHV-UHFFFAOYSA-N
Compound name
2-[(5-chlorothiophen-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.06525 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07253 150.5
[M+Na]+ 281.05447 161.6
[M-H]- 257.05797 159.7
[M+NH4]+ 276.09907 174.6
[M+K]+ 297.02841 160.2
[M+H-H2O]+ 241.06251 149.0
[M+HCOO]- 303.06345 163.6
[M+CH3COO]- 317.07910 190.7
[M+Na-2H]- 279.03992 152.6
[M]+ 258.06470 157.8
[M]- 258.06580 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

No patent data available for this compound.