CID 3255117

2,2,3,3,4,4,4-heptafluoro-n-(2-methoxyethyl)butanamide

Structural Information

Molecular Formula
C7H8F7NO2
SMILES
COCCNC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H8F7NO2/c1-17-3-2-15-4(16)5(8,9)6(10,11)7(12,13)14/h2-3H2,1H3,(H,15,16)
InChIKey
XTVQLRCYVUMCLK-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-(2-methoxyethyl)butanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

271.0443 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.05158 149.3
[M+Na]+ 294.03352 156.9
[M-H]- 270.03702 140.8
[M+NH4]+ 289.07812 164.9
[M+K]+ 310.00746 155.5
[M+H-H2O]+ 254.04156 139.2
[M+HCOO]- 316.04250 161.2
[M+CH3COO]- 330.05815 198.7
[M+Na-2H]- 292.01897 153.2
[M]+ 271.04375 140.5
[M]- 271.04485 140.5
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

No patent data available for this compound.