CID 137958541

1622868-66-9

Structural Information

Molecular Formula
C11H3F17O3
SMILES
C=CC(=O)OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C11H3F17O3/c1-2-3(29)30-4(7(15,16)17,8(18,19)20)6(14,10(24,25)26)31-11(27,28)5(12,13)9(21,22)23/h2H,1H2
InChIKey
FIGBQVAJPJHIDX-UHFFFAOYSA-N
Compound name
[1,1,1,3,4,4,4-heptafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-(trifluoromethyl)butan-2-yl] prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

505.98108 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.98836 166.7
[M+Na]+ 528.97030 173.1
[M-H]- 504.97380 175.9
[M+NH4]+ 524.01490 178.6
[M+K]+ 544.94424 180.5
[M+H-H2O]+ 488.97834 157.4
[M+HCOO]- 550.97928 187.0
[M+CH3COO]- 564.99493 234.9
[M+Na-2H]- 526.95575 166.7
[M]+ 505.98053 165.7
[M]- 505.98163 165.7
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.