CID 138987155

2762075-05-6

Structural Information

Molecular Formula
C13H18BFO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)SC)F
InChI
InChI=1S/C13H18BFO2S/c1-12(2)13(3,4)17-14(16-12)9-6-10(15)8-11(7-9)18-5/h6-8H,1-5H3
InChIKey
KTDJLJOXYMYLGH-UHFFFAOYSA-N
Compound name
2-(3-fluoro-5-methylsulfanylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

268.11047 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11775 151.5
[M+Na]+ 291.09969 162.1
[M-H]- 267.10319 159.3
[M+NH4]+ 286.14429 172.8
[M+K]+ 307.07363 161.5
[M+H-H2O]+ 251.10773 147.1
[M+HCOO]- 313.10867 166.7
[M+CH3COO]- 327.12432 196.4
[M+Na-2H]- 289.08514 154.3
[M]+ 268.10992 156.3
[M]- 268.11102 156.3
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

patents stripe