CID 155943783

En300-27735945

Structural Information

Molecular Formula
C14H19BO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C(=O)O)SC
InChI
InChI=1S/C14H19BO4S/c1-13(2)14(3,4)19-15(18-13)10-8-9(12(16)17)6-7-11(10)20-5/h6-8H,1-5H3,(H,16,17)
InChIKey
QZWCUFZGPJWCJW-UHFFFAOYSA-N
Compound name
4-methylsulfanyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.1097 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.11698 163.7
[M+Na]+ 317.09892 174.5
[M+NH4]+ 312.14352 173.6
[M+K]+ 333.07286 166.8
[M-H]- 293.10242 168.2
[M+Na-2H]- 315.08437 169.7
[M]+ 294.10915 167.3
[M]- 294.11025 167.3
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.