CID 550340

2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanamide

Structural Information

Molecular Formula
C4H2F7NO2
SMILES
C(=O)(C(C(F)(F)F)(OC(F)(F)F)F)N
InChI
InChI=1S/C4H2F7NO2/c5-2(1(12)13,3(6,7)8)14-4(9,10)11/h(H2,12,13)
InChIKey
RODHNODFUBONAV-UHFFFAOYSA-N
Compound name
2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

11
Patents

228.99738 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.004656 135.3
[M+Na]+ 251.986598 144.2
[M-H]- 227.990104 126.9
[M+NH4]+ 247.031203 152.3
[M+K]+ 267.960538 143.2
[M+H-H2O]+ 211.994640 125.9
[M+HCOO]- 273.995581 147.6
[M+CH3COO]- 288.011231 189.2
[M+Na-2H]- 249.972046 139.8
[M]+ 228.99683142 124.4
[M]- 228.99792858 124.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe