CID 45785644

1142946-75-5

Structural Information

Molecular Formula
C6H9BO2S
SMILES
B(C1=CC(=CS1)CC)(O)O
InChI
InChI=1S/C6H9BO2S/c1-2-5-3-6(7(8)9)10-4-5/h3-4,8-9H,2H2,1H3
InChIKey
TYDVTRDAHRNTLG-UHFFFAOYSA-N
Compound name
(4-ethylthiophen-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

156.04163 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04891 130.4
[M+Na]+ 179.03085 138.6
[M-H]- 155.03435 132.0
[M+NH4]+ 174.07545 152.6
[M+K]+ 195.00479 136.3
[M+H-H2O]+ 139.03889 126.0
[M+HCOO]- 201.03983 147.5
[M+CH3COO]- 215.05548 169.4
[M+Na-2H]- 177.01630 131.3
[M]+ 156.04108 131.4
[M]- 156.04218 131.4
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