CID 3457661

2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)-1-(morpholin-4-yl)propan-1-one

Structural Information

Molecular Formula
C10H8F11NO3
SMILES
C1COCCN1C(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C10H8F11NO3/c11-6(8(14,15)16,5(23)22-1-3-24-4-2-22)25-10(20,21)7(12,13)9(17,18)19/h1-4H2
InChIKey
RARVKFBGGANBMS-UHFFFAOYSA-N
Compound name
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-morpholin-4-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

399.03287 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.04015 175.9
[M+Na]+ 422.02209 182.6
[M-H]- 398.02559 165.0
[M+NH4]+ 417.06669 183.4
[M+K]+ 437.99603 181.3
[M+H-H2O]+ 382.03013 161.9
[M+HCOO]- 444.03107 174.2
[M+CH3COO]- 458.04672 216.1
[M+Na-2H]- 420.00754 179.2
[M]+ 399.03232 158.2
[M]- 399.03342 158.2
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.