CID 87816900

1,1,1,3,3,3-hexafluoropropan-2-yl heptafluorobutanoate

Structural Information

Molecular Formula
C7HF13O2
SMILES
C(C(F)(F)F)(C(F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7HF13O2/c8-3(9,6(16,17)7(18,19)20)2(21)22-1(4(10,11)12)5(13,14)15/h1H
InChIKey
NEHOYPPKUMDNIR-UHFFFAOYSA-N
Compound name
1,1,1,3,3,3-hexafluoropropan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

363.9769 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.98418 162.0
[M+Na]+ 386.96612 171.5
[M-H]- 362.96962 148.0
[M+NH4]+ 382.01072 154.9
[M+K]+ 402.94006 169.4
[M+H-H2O]+ 346.97416 148.7
[M+HCOO]- 408.97510 163.0
[M+CH3COO]- 422.99075 212.5
[M+Na-2H]- 384.95157 163.3
[M]+ 363.97635 143.1
[M]- 363.97745 143.1
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

patents stripe