CID 156842951

2-(2,4-difluoro-6-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C13H17BF2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2C)F)F
InChI
InChI=1S/C13H17BF2O2/c1-8-6-9(15)7-10(16)11(8)14-17-12(2,3)13(4,5)18-14/h6-7H,1-5H3
InChIKey
TZRWIMAJILNBOU-UHFFFAOYSA-N
Compound name
2-(2,4-difluoro-6-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

254.12897 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.136246 147.9
[M+Na]+ 277.118188 159.5
[M-H]- 253.121694 154.8
[M+NH4]+ 272.162793 169.4
[M+K]+ 293.092128 158.9
[M+H-H2O]+ 237.126230 142.6
[M+HCOO]- 299.127171 166.9
[M+CH3COO]- 313.142821 196.7
[M+Na-2H]- 275.103636 152.0
[M]+ 254.12842142 149.7
[M]- 254.12951858 149.7
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