CID 113249379

4,4,5,5-tetramethyl-2-(3-{[4-(trifluoromethyl)phenyl]methoxy}phenyl)-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C20H22BF3O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)OCC3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C20H22BF3O3/c1-18(2)19(3,4)27-21(26-18)16-6-5-7-17(12-16)25-13-14-8-10-15(11-9-14)20(22,23)24/h5-12H,13H2,1-4H3
InChIKey
AUYUJIJAJWLWKH-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.1614 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.16868 184.1
[M+Na]+ 401.15062 193.7
[M-H]- 377.15412 192.1
[M+NH4]+ 396.19522 199.7
[M+K]+ 417.12456 191.8
[M+H-H2O]+ 361.15866 175.3
[M+HCOO]- 423.15960 199.7
[M+CH3COO]- 437.17525 216.7
[M+Na-2H]- 399.13607 187.1
[M]+ 378.16085 185.1
[M]- 378.16195 185.1
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

No patent data available for this compound.