CID 123544521

2-(3-(difluoromethyl)-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C14H19BF2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)C(F)F)C
InChI
InChI=1S/C14H19BF2O2/c1-9-6-10(12(16)17)8-11(7-9)15-18-13(2,3)14(4,5)19-15/h6-8,12H,1-5H3
InChIKey
VBMLAYOEIKDBMV-UHFFFAOYSA-N
Compound name
2-[3-(difluoromethyl)-5-methylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

268.14462 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.15190 163.0
[M+Na]+ 291.13384 173.7
[M+NH4]+ 286.17844 172.4
[M+K]+ 307.10778 166.6
[M-H]- 267.13734 165.8
[M+Na-2H]- 289.11929 168.7
[M]+ 268.14407 165.6
[M]- 268.14517 165.6
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