CID 165940715

2-(1,1-difluoro-2,3-dihydro-1h-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C15H19BF2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3CCC(C3=CC=C2)(F)F
InChI
InChI=1S/C15H19BF2O2/c1-13(2)14(3,4)20-16(19-13)12-7-5-6-11-10(12)8-9-15(11,17)18/h5-7H,8-9H2,1-4H3
InChIKey
ZIPHVRXAAHSTEP-UHFFFAOYSA-N
Compound name
2-(1,1-difluoro-2,3-dihydroinden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.14462 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.15190 155.2
[M+Na]+ 303.13384 166.5
[M-H]- 279.13734 162.6
[M+NH4]+ 298.17844 179.9
[M+K]+ 319.10778 164.7
[M+H-H2O]+ 263.14188 150.5
[M+HCOO]- 325.14282 172.7
[M+CH3COO]- 339.15847 169.1
[M+Na-2H]- 301.11929 159.1
[M]+ 280.14407 155.9
[M]- 280.14517 155.9
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.