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]+ 396.990396 171.2
[M+Na]+ 418.972338 180.7
[M-H]- 394.975844 156.5
[M+NH4]+ 414.016943 158.1
[M+K]+ 434.946278 178.2
[M+H-H2O]+ 378.980380 157.3
[M+HCOO]- 440.981321 169.7
[M+CH3COO]- 454.996971 218.6
[M+Na-2H]- 416.957786 173.6
[M]+ 395.98257142 151.1
[M]- 395.98366858 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