CID 4668344

2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-(morpholin-4-yl)heptan-1-one

Structural Information

Molecular Formula
C11H8F13NO2
SMILES
C1COCCN1C(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H8F13NO2/c12-6(13,5(26)25-1-3-27-4-2-25)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h1-4H2
InChIKey
HYKLUXGMNPOIOG-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-morpholin-4-ylheptan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

433.03476 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.04204 183.4
[M+Na]+ 456.02398 190.3
[M-H]- 432.02748 170.7
[M+NH4]+ 451.06858 189.4
[M+K]+ 471.99792 188.0
[M+H-H2O]+ 416.03202 168.4
[M+HCOO]- 478.03296 177.9
[M+CH3COO]- 492.04861 223.9
[M+Na-2H]- 454.00943 186.0
[M]+ 433.03421 161.3
[M]- 433.03531 161.3
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

No patent data available for this compound.