CID 4086334

2,2,3,3,4,4,5,5,5-nonafluoro-n-methylpentanamide

Structural Information

Molecular Formula
C6H4F9NO
SMILES
CNC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H4F9NO/c1-16-2(17)3(7,8)4(9,10)5(11,12)6(13,14)15/h1H3,(H,16,17)
InChIKey
HDDQYUSNJSEGHK-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,5-nonafluoro-N-methylpentanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

277.01492 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.02220 146.7
[M+Na]+ 300.00414 155.3
[M-H]- 276.00764 136.5
[M+NH4]+ 295.04874 161.9
[M+K]+ 315.97808 153.4
[M+H-H2O]+ 260.01218 135.9
[M+HCOO]- 322.01312 155.1
[M+CH3COO]- 336.02877 200.4
[M+Na-2H]- 297.98959 150.8
[M]+ 277.01437 132.5
[M]- 277.01547 132.5
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