CID 165461808

En300-790785

Structural Information

Molecular Formula
C15H19BO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C=C(S3)C
InChI
InChI=1S/C15H19BO2S/c1-10-8-11-6-7-12(9-13(11)19-10)16-17-14(2,3)15(4,5)18-16/h6-9H,1-5H3
InChIKey
FRISXACLBVUHDH-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(2-methyl-1-benzothiophen-6-yl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.11987 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.12715 156.0
[M+Na]+ 297.10909 168.7
[M-H]- 273.11259 166.8
[M+NH4]+ 292.15369 180.2
[M+K]+ 313.08303 167.3
[M+H-H2O]+ 257.11713 153.4
[M+HCOO]- 319.11807 173.9
[M+CH3COO]- 333.13372 171.2
[M+Na-2H]- 295.09454 159.4
[M]+ 274.11932 164.0
[M]- 274.12042 164.0
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.