CID 98455042

1365808-09-8

Structural Information

Molecular Formula
C6H2F10O2
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(F)(F)F
InChI
InChI=1S/C6H2F10O2/c7-3(8,5(12,13)6(14,15)16)1-18-2(17)4(9,10)11/h1H2
InChIKey
MTSOMQACIQLZKS-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluorobutyl 2,2,2-trifluoroacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

295.9895 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.99678 149.3
[M+Na]+ 318.97872 158.9
[M-H]- 294.98222 138.1
[M+NH4]+ 314.02332 164.0
[M+K]+ 334.95266 157.1
[M+H-H2O]+ 278.98676 137.9
[M+HCOO]- 340.98770 155.9
[M+CH3COO]- 355.00335 200.1
[M+Na-2H]- 316.96417 152.8
[M]+ 295.98895 135.9
[M]- 295.99005 135.9
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.