CID 133629079

2241678-16-8

Structural Information

Molecular Formula
C15H19BF2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)[C@@H]2C[C@H]2C3=C(C=CC(=C3)F)F
InChI
InChI=1S/C15H19BF2O2/c1-14(2)15(3,4)20-16(19-14)12-8-10(12)11-7-9(17)5-6-13(11)18/h5-7,10,12H,8H2,1-4H3/t10-,12+/m0/s1
InChIKey
QIYFZBSBZRAGAI-CMPLNLGQSA-N
Compound name
2-[(1R,2R)-2-(2,5-difluorophenyl)cyclopropyl]-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 151.4
[M+Na]+ 303.13384 163.3
[M-H]- 279.13734 161.7
[M+NH4]+ 298.17844 166.7
[M+K]+ 319.10778 163.1
[M+H-H2O]+ 263.14188 145.5
[M+HCOO]- 325.14282 169.0
[M+CH3COO]- 339.15847 203.6
[M+Na-2H]- 301.11929 155.0
[M]+ 280.14407 155.4
[M]- 280.14517 155.4
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.