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
2
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 164.5
[M+Na]+ 334.10122 170.4
[M-H]- 310.10472 155.5
[M+NH4]+ 329.14582 178.6
[M+K]+ 350.07516 168.0
[M+H-H2O]+ 294.10926 154.0
[M+HCOO]- 356.11020 174.0
[M+CH3COO]- 370.12585 209.4
[M+Na-2H]- 332.08667 165.1
[M]+ 311.11145 155.1
[M]- 311.11255 155.1
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.