CID 4613030

377-66-2

Structural Information

Molecular Formula
C6H6F7NO2
SMILES
C(CO)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H6F7NO2/c7-4(8,3(16)14-1-2-15)5(9,10)6(11,12)13/h15H,1-2H2,(H,14,16)
InChIKey
KPTAUHCSUNOZRL-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxyethyl)butanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

257.0287 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.03598 144.6
[M+Na]+ 280.01792 152.2
[M-H]- 256.02142 134.9
[M+NH4]+ 275.06252 160.1
[M+K]+ 295.99186 150.2
[M+H-H2O]+ 240.02596 135.0
[M+HCOO]- 302.02690 155.4
[M+CH3COO]- 316.04255 193.2
[M+Na-2H]- 278.00337 148.6
[M]+ 257.02815 133.5
[M]- 257.02925 133.5
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