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]+ 241.04579 142.1
[M+Na]+ 263.02773 150.6
[M-H]- 239.03123 133.9
[M+NH4]+ 258.07233 159.4
[M+K]+ 279.00167 148.8
[M+H-H2O]+ 223.03577 132.8
[M+HCOO]- 285.03671 152.9
[M+CH3COO]- 299.05236 192.8
[M+Na-2H]- 261.01318 145.7
[M]+ 240.03796 132.8
[M]- 240.03906 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