CID 53641002

2,2,3,3,4,4,4-heptafluorobutyl heptafluorobutanoate

Structural Information

Molecular Formula
C8H2F14O2
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H2F14O2/c9-3(10,5(13,14)7(17,18)19)1-24-2(23)4(11,12)6(15,16)8(20,21)22/h1H2
InChIKey
AGAHTUDKCJGVDX-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluorobutyl 2,2,3,3,4,4,4-heptafluorobutanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

395.98312 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.99040 171.2
[M+Na]+ 418.97234 180.7
[M-H]- 394.97584 156.5
[M+NH4]+ 414.01694 158.1
[M+K]+ 434.94628 178.2
[M+H-H2O]+ 378.98038 157.3
[M+HCOO]- 440.98132 169.7
[M+CH3COO]- 454.99697 218.6
[M+Na-2H]- 416.95779 173.6
[M]+ 395.98257 151.1
[M]- 395.98367 151.1
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