CID 131676913

2094504-03-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

254.12897 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13625 147.9
[M+Na]+ 277.11819 159.5
[M-H]- 253.12169 154.8
[M+NH4]+ 272.16279 169.4
[M+K]+ 293.09213 158.9
[M+H-H2O]+ 237.12623 142.6
[M+HCOO]- 299.12717 166.9
[M+CH3COO]- 313.14282 196.7
[M+Na-2H]- 275.10364 152.0
[M]+ 254.12842 149.7
[M]- 254.12952 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