CID 16414258

1025707-97-4

Structural Information

Molecular Formula
C13H17BF2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=C(C=C2)F)F)C
InChI
InChI=1S/C13H17BF2O2/c1-8-9(6-7-10(15)11(8)16)14-17-12(2,3)13(4,5)18-14/h6-7H,1-5H3
InChIKey
ZFGTVDVAMFQJOZ-UHFFFAOYSA-N
Compound name
2-(3,4-difluoro-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

254.12897 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13625 158.2
[M+Na]+ 277.11819 169.9
[M+NH4]+ 272.16279 167.9
[M+K]+ 293.09213 162.4
[M-H]- 253.12169 161.3
[M+Na-2H]- 275.10364 164.4
[M]+ 254.12842 161.1
[M]- 254.12952 161.1
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