CID 13761597

Bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl) peroxide

Structural Information

Molecular Formula
C14H2F24O4
SMILES
C(C(C(C(C(C(C(=O)OOC(=O)C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H2F24O4/c15-1(16)5(19,20)9(27,28)13(35,36)11(31,32)7(23,24)3(39)41-42-4(40)8(25,26)12(33,34)14(37,38)10(29,30)6(21,22)2(17)18/h1-2H
InChIKey
RWRPNOCBTYVGOR-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptaneperoxoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

294
Patents

689.957 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 690.96428 152.6
[M+Na]+ 712.94622 152.6
[M+NH4]+ 707.99082 152.6
[M+K]+ 728.92016 152.6
[M-H]- 688.94972 152.6
[M+Na-2H]- 710.93167 152.6
[M]+ 689.95645 152.6
[M]- 689.95755 152.6
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