CID 4196056

N-butyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide

Structural Information

Molecular Formula
C9H10F9NO
SMILES
CCCCNC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H10F9NO/c1-2-3-4-19-5(20)6(10,11)7(12,13)8(14,15)9(16,17)18/h2-4H2,1H3,(H,19,20)
InChIKey
BPKHCGPAWIBCPT-UHFFFAOYSA-N
Compound name
N-butyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

319.06186 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.06914 160.9
[M+Na]+ 342.05108 168.2
[M-H]- 318.05458 150.1
[M+NH4]+ 337.09568 174.4
[M+K]+ 358.02502 165.6
[M+H-H2O]+ 302.05912 149.4
[M+HCOO]- 364.06006 168.2
[M+CH3COO]- 378.07571 209.1
[M+Na-2H]- 340.03653 163.4
[M]+ 319.06131 147.7
[M]- 319.06241 147.7
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

patents stripe