CID 425461

20583-66-8

Structural Information

Molecular Formula
C7H2F10O2
SMILES
C(C(=O)C(C(C(F)(F)F)(F)F)(F)F)C(=O)C(F)(F)F
InChI
InChI=1S/C7H2F10O2/c8-4(9,6(13,14)7(15,16)17)2(18)1-3(19)5(10,11)12/h1H2
InChIKey
SUORUQZBFOQDGX-UHFFFAOYSA-N
Compound name
1,1,1,5,5,6,6,7,7,7-decafluoroheptane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

107
Patents

307.9895 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.99678 150.7
[M+Na]+ 330.97872 159.8
[M-H]- 306.98222 139.4
[M+NH4]+ 326.02332 164.7
[M+K]+ 346.95266 157.7
[M+H-H2O]+ 290.98676 139.4
[M+HCOO]- 352.98770 156.3
[M+CH3COO]- 367.00335 203.3
[M+Na-2H]- 328.96417 152.7
[M]+ 307.98895 136.4
[M]- 307.99005 136.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe