CID 11565340

683242-93-5

Structural Information

Molecular Formula
C13H20BF3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)C(F)(F)F
InChI
InChI=1S/C13H20BF3O2/c1-11(2)12(3,4)19-14(18-11)10-7-5-9(6-8-10)13(15,16)17/h7,9H,5-6,8H2,1-4H3
InChIKey
WZIGWZGLMLDGKU-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[4-(trifluoromethyl)cyclohexen-1-yl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

276.15085 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.15813 156.3
[M+Na]+ 299.14007 164.4
[M-H]- 275.14357 160.5
[M+NH4]+ 294.18467 176.1
[M+K]+ 315.11401 164.3
[M+H-H2O]+ 259.14811 150.2
[M+HCOO]- 321.14905 169.7
[M+CH3COO]- 335.16470 197.7
[M+Na-2H]- 297.12552 160.0
[M]+ 276.15030 152.5
[M]- 276.15140 152.5
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