CID 4686073

2,2,3,3,4,4,4-heptafluoro-n-heptan-2-ylbutanamide

Structural Information

Molecular Formula
C11H16F7NO
SMILES
CCCCCC(C)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H16F7NO/c1-3-4-5-6-7(2)19-8(20)9(12,13)10(14,15)11(16,17)18/h7H,3-6H2,1-2H3,(H,19,20)
InChIKey
PFQQFKZQVVSAND-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-heptan-2-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.112 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.11928 184.0
[M+Na]+ 334.10122 184.8
[M+NH4]+ 329.14582 183.9
[M+K]+ 350.07516 182.0
[M-H]- 310.10472 174.8
[M+Na-2H]- 332.08667 180.6
[M]+ 311.11145 181.0
[M]- 311.11255 181.0
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.