CID 67397367

4,4,5,5-tetramethyl-2-(4-((trifluoromethyl)sulfonyl)phenyl)-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C13H16BF3O4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)S(=O)(=O)C(F)(F)F
InChI
InChI=1S/C13H16BF3O4S/c1-11(2)12(3,4)21-14(20-11)9-5-7-10(8-6-9)22(18,19)13(15,16)17/h5-8H,1-4H3
InChIKey
SGJLAYCQVDMZOM-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[4-(trifluoromethylsulfonyl)phenyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

336.08145 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.08873 163.1
[M+Na]+ 359.07067 173.7
[M-H]- 335.07417 168.2
[M+NH4]+ 354.11527 181.0
[M+K]+ 375.04461 173.4
[M+H-H2O]+ 319.07871 157.9
[M+HCOO]- 381.07965 174.1
[M+CH3COO]- 395.09530 203.8
[M+Na-2H]- 357.05612 168.6
[M]+ 336.08090 165.8
[M]- 336.08200 165.8
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