CID 145874750

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

Structural Information

Molecular Formula
C15H18BF5O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(CC(F)(F)F)(F)F
InChI
InChI=1S/C15H18BF5O2/c1-12(2)13(3,4)23-16(22-12)11-7-5-10(6-8-11)14(17,18)9-15(19,20)21/h5-8H,9H2,1-4H3
InChIKey
XECFQEKZPWVWAM-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[4-(1,1,3,3,3-pentafluoropropyl)phenyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.132 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.13928 167.6
[M+Na]+ 359.12122 177.5
[M-H]- 335.12472 169.8
[M+NH4]+ 354.16582 185.0
[M+K]+ 375.09516 176.3
[M+H-H2O]+ 319.12926 159.9
[M+HCOO]- 381.13020 179.6
[M+CH3COO]- 395.14585 209.0
[M+Na-2H]- 357.10667 172.2
[M]+ 336.13145 164.4
[M]- 336.13255 164.4
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.