CID 137952018

4,4,5,5-tetramethyl-2-[4-(1,1,2,2-tetrafluoro-2-methoxyethyl)phenyl]-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C15H19BF4O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(C(OC)(F)F)(F)F
InChI
InChI=1S/C15H19BF4O3/c1-12(2)13(3,4)23-16(22-12)11-8-6-10(7-9-11)14(17,18)15(19,20)21-5/h6-9H,1-5H3
InChIKey
UAEKOFBYPZUXML-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[4-(1,1,2,2-tetrafluoro-2-methoxyethyl)phenyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.13635 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.14363 167.0
[M+Na]+ 357.12557 176.7
[M-H]- 333.12907 170.6
[M+NH4]+ 352.17017 184.5
[M+K]+ 373.09951 176.5
[M+H-H2O]+ 317.13361 160.2
[M+HCOO]- 379.13455 180.3
[M+CH3COO]- 393.15020 208.9
[M+Na-2H]- 355.11102 172.6
[M]+ 334.13580 166.7
[M]- 334.13690 166.7
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

No patent data available for this compound.