CID 68277236

2-[(3,5-difluorophenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C13H17BF2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)CC2=CC(=CC(=C2)F)F
InChI
InChI=1S/C13H17BF2O2/c1-12(2)13(3,4)18-14(17-12)8-9-5-10(15)7-11(16)6-9/h5-7H,8H2,1-4H3
InChIKey
LGJSPTFUIMJKTA-UHFFFAOYSA-N
Compound name
2-[(3,5-difluorophenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

254.12897 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13625 149.3
[M+Na]+ 277.11819 160.0
[M-H]- 253.12169 155.8
[M+NH4]+ 272.16279 170.5
[M+K]+ 293.09213 159.3
[M+H-H2O]+ 237.12623 143.6
[M+HCOO]- 299.12717 168.3
[M+CH3COO]- 313.14282 195.5
[M+Na-2H]- 275.10364 153.9
[M]+ 254.12842 150.6
[M]- 254.12952 150.6
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