CID 142362364

2227365-56-0

Structural Information

Molecular Formula
C15H19BF2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3CC3(F)F
InChI
InChI=1S/C15H19BF2O2/c1-13(2)14(3,4)20-16(19-13)11-7-5-10(6-8-11)12-9-15(12,17)18/h5-8,12H,9H2,1-4H3
InChIKey
YRIUPBWUSJTTIG-UHFFFAOYSA-N
Compound name
2-[4-(2,2-difluorocyclopropyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

280.14462 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.15190 149.9
[M+Na]+ 303.13384 161.7
[M-H]- 279.13734 160.2
[M+NH4]+ 298.17844 166.7
[M+K]+ 319.10778 162.6
[M+H-H2O]+ 263.14188 144.6
[M+HCOO]- 325.14282 167.2
[M+CH3COO]- 339.15847 202.3
[M+Na-2H]- 301.11929 155.3
[M]+ 280.14407 154.1
[M]- 280.14517 154.1
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