CID 2775461

678-18-2

Structural Information

Molecular Formula
C6H3F9O
SMILES
CC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H3F9O/c1-2(16)3(7,8)4(9,10)5(11,12)6(13,14)15/h1H3
InChIKey
LPPFRPMJUNOKRS-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,6-nonafluorohexan-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

54
Patents

262.00403 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.011306 142.5
[M+Na]+ 284.993248 151.9
[M-H]- 260.996754 132.4
[M+NH4]+ 280.037853 158.6
[M+K]+ 300.967188 150.1
[M+H-H2O]+ 245.001290 132.1
[M+HCOO]- 307.002231 149.9
[M+CH3COO]- 321.017881 196.5
[M+Na-2H]- 282.978696 146.4
[M]+ 262.00348142 129.2
[M]- 262.00457858 129.2
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