CID 54770335

1-[3,5-bis({[tert-butyl(dimethyl)silyl]oxy}methyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptan-1-one

Structural Information

Molecular Formula
C27H37F13O3Si2
SMILES
CC(C)(C)[Si](C)(C)OCC1=CC(=CC(=C1)C(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CO[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C27H37F13O3Si2/c1-20(2,3)44(7,8)42-14-16-11-17(15-43-45(9,10)21(4,5)6)13-18(12-16)19(41)22(28,29)23(30,31)24(32,33)25(34,35)26(36,37)27(38,39)40/h11-13H,14-15H2,1-10H3
InChIKey
ORKNYFGKPMRLBL-UHFFFAOYSA-N
Compound name
1-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

712.20734 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 713.21462 223.7
[M+Na]+ 735.19656 228.9
[M-H]- 711.20006 233.5
[M+NH4]+ 730.24116 238.0
[M+K]+ 751.17050 240.9
[M+H-H2O]+ 695.20460 210.5
[M+HCOO]- 757.20554 244.1
[M+CH3COO]- 771.22119 271.2
[M+Na-2H]- 733.18201 217.3
[M]+ 712.20679 228.2
[M]- 712.20789 228.2
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

No patent data available for this compound.