CID 126961418

2323602-45-3

Structural Information

Molecular Formula
C15H20BFO2
SMILES
B1(OC(C(O1)(C)C)(C)C)[C@@H]2C[C@H]2C3=CC=CC=C3F
InChI
InChI=1S/C15H20BFO2/c1-14(2)15(3,4)19-16(18-14)12-9-11(12)10-7-5-6-8-13(10)17/h5-8,11-12H,9H2,1-4H3/t11-,12+/m0/s1
InChIKey
FWPPAUZSOOXNCA-NWDGAFQWSA-N
Compound name
2-[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.15405 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.16133 150.4
[M+Na]+ 285.14327 161.4
[M-H]- 261.14677 161.7
[M+NH4]+ 280.18787 166.1
[M+K]+ 301.11721 161.8
[M+H-H2O]+ 245.15131 145.1
[M+HCOO]- 307.15225 169.1
[M+CH3COO]- 321.16790 199.9
[M+Na-2H]- 283.12872 155.0
[M]+ 262.15350 155.0
[M]- 262.15460 155.0
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.