CID 19578941

162607-16-1

Structural Information

Molecular Formula
C6H9BO2S
SMILES
B(C1=CC=C(S1)CC)(O)O
InChI
InChI=1S/C6H9BO2S/c1-2-5-3-4-6(10-5)7(8)9/h3-4,8-9H,2H2,1H3
InChIKey
SRCHLCSUUTVUNG-UHFFFAOYSA-N
Compound name
(5-ethylthiophen-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

156.04163 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04891 131.1
[M+Na]+ 179.03085 140.7
[M+NH4]+ 174.07545 139.6
[M+K]+ 195.00479 136.0
[M-H]- 155.03435 131.5
[M+Na-2H]- 177.01630 134.7
[M]+ 156.04108 132.8
[M]- 156.04218 132.8
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