CID 2756735

Dtxsid90896530

Structural Information

Molecular Formula
C13H2F22O4
SMILES
C(C(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)C(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C13H2F22O4/c14-4(8(20,21)22,38-12(32,33)6(16,17)10(26,27)28)2(36)1-3(37)5(15,9(23,24)25)39-13(34,35)7(18,19)11(29,30)31/h1H2
InChIKey
UNLIPKHWLXWFAN-UHFFFAOYSA-N
Compound name
1,1,1,2,6,7,7,7-octafluoro-2,6-bis(1,1,2,2,3,3,3-heptafluoropropoxy)heptane-3,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

93
Patents

639.9602 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 640.96748 187.5
[M+Na]+ 662.94942 192.3
[M-H]- 638.95292 200.2
[M+NH4]+ 657.99402 202.2
[M+K]+ 678.92336 203.8
[M+H-H2O]+ 622.95746 176.7
[M+HCOO]- 684.95840 204.0
[M+CH3COO]- 698.97405 253.7
[M+Na-2H]- 660.93487 188.0
[M]+ 639.95965 185.8
[M]- 639.96075 185.8
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