CID 238294

1,1,1,2,2,3,3-heptafluoroheptan-4-one

Structural Information

Molecular Formula
C7H7F7O
SMILES
CCCC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H7F7O/c1-2-3-4(15)5(8,9)6(10,11)7(12,13)14/h2-3H2,1H3
InChIKey
UFFMDNJCTCOCIX-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3-heptafluoroheptan-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

240.03851 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.045786 142.1
[M+Na]+ 263.027728 150.6
[M-H]- 239.031234 133.9
[M+NH4]+ 258.072333 159.4
[M+K]+ 279.001668 148.8
[M+H-H2O]+ 223.035770 132.8
[M+HCOO]- 285.036711 152.9
[M+CH3COO]- 299.052361 192.8
[M+Na-2H]- 261.013176 145.7
[M]+ 240.03796142 132.8
[M]- 240.03905858 132.8
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