CID 132353718

2121514-21-2

Structural Information

Molecular Formula
C19H21BF2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2F)OCC3=CC=CC=C3)F
InChI
InChI=1S/C19H21BF2O3/c1-18(2)19(3,4)25-20(24-18)17-15(21)10-14(11-16(17)22)23-12-13-8-6-5-7-9-13/h5-11H,12H2,1-4H3
InChIKey
HWLIDKHHQTXGCQ-UHFFFAOYSA-N
Compound name
2-(2,6-difluoro-4-phenylmethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.15518 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.16246 176.0
[M+Na]+ 369.14440 186.4
[M-H]- 345.14790 185.6
[M+NH4]+ 364.18900 193.0
[M+K]+ 385.11834 184.5
[M+H-H2O]+ 329.15244 167.8
[M+HCOO]- 391.15338 194.5
[M+CH3COO]- 405.16903 212.4
[M+Na-2H]- 367.12985 178.3
[M]+ 346.15463 178.8
[M]- 346.15573 178.8
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

No patent data available for this compound.