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

18
Patents

257.0287 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.035976 144.6
[M+Na]+ 280.017918 152.2
[M-H]- 256.021424 134.9
[M+NH4]+ 275.062523 160.1
[M+K]+ 295.991858 150.2
[M+H-H2O]+ 240.025960 135.0
[M+HCOO]- 302.026901 155.4
[M+CH3COO]- 316.042551 193.2
[M+Na-2H]- 278.003366 148.6
[M]+ 257.02815142 133.5
[M]- 257.02924858 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