CID 58452492

1310949-76-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

268.14462 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.15190 154.2
[M+Na]+ 291.13384 164.1
[M-H]- 267.13734 160.5
[M+NH4]+ 286.17844 174.6
[M+K]+ 307.10778 163.7
[M+H-H2O]+ 251.14188 148.5
[M+HCOO]- 313.14282 171.8
[M+CH3COO]- 327.15847 199.4
[M+Na-2H]- 289.11929 157.0
[M]+ 268.14407 155.2
[M]- 268.14517 155.2
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