CID 3530982

N-(2-ethylphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide

Structural Information

Molecular Formula
C12H10F7NO
SMILES
CCC1=CC=CC=C1NC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H10F7NO/c1-2-7-5-3-4-6-8(7)20-9(21)10(13,14)11(15,16)12(17,18)19/h3-6H,2H2,1H3,(H,20,21)
InChIKey
WSXDNDBZYMSYLA-UHFFFAOYSA-N
Compound name
N-(2-ethylphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

317.06506 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.07234 162.8
[M+Na]+ 340.05428 170.8
[M-H]- 316.05778 157.6
[M+NH4]+ 335.09888 176.7
[M+K]+ 356.02822 166.9
[M+H-H2O]+ 300.06232 151.5
[M+HCOO]- 362.06326 174.4
[M+CH3COO]- 376.07891 208.0
[M+Na-2H]- 338.03973 166.0
[M]+ 317.06451 152.8
[M]- 317.06561 152.8
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.