CID 4379511

Heptanamide, n,n-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-

Structural Information

Molecular Formula
C11H10F13NO
SMILES
CCN(CC)C(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H10F13NO/c1-3-25(4-2)5(26)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h3-4H2,1-2H3
InChIKey
OUULXEWNDSSVGI-UHFFFAOYSA-N
Compound name
N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

419.05548 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.06276 179.7
[M+Na]+ 442.04470 176.6
[M-H]- 418.04820 173.9
[M+NH4]+ 437.08930 177.3
[M+K]+ 458.01864 185.4
[M+H-H2O]+ 402.05274 165.8
[M+HCOO]- 464.05368 183.7
[M+CH3COO]- 478.06933 230.2
[M+Na-2H]- 440.03015 180.9
[M]+ 419.05493 165.0
[M]- 419.05603 165.0
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.