CID 13638520

3,3-dimethylbutan-2-yl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate

Structural Information

Molecular Formula
C15H13F17O4
SMILES
CC(C(C)(C)C)OC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F
InChI
InChI=1S/C15H13F17O4/c1-5(7(2,3)4)34-6(33)8(16,11(20,21)22)35-15(31,32)10(19,13(26,27)28)36-14(29,30)9(17,18)12(23,24)25/h5H,1-4H3
InChIKey
JXPUKRLBUAVXEM-UHFFFAOYSA-N
Compound name
3,3-dimethylbutan-2-yl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

580.05426 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.06154 188.7
[M+Na]+ 603.04348 193.7
[M-H]- 579.04698 200.0
[M+NH4]+ 598.08808 203.0
[M+K]+ 619.01742 204.1
[M+H-H2O]+ 563.05152 178.1
[M+HCOO]- 625.05246 205.3
[M+CH3COO]- 639.06811 248.1
[M+Na-2H]- 601.02893 186.9
[M]+ 580.05371 189.4
[M]- 580.05481 189.4
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.