CID 383579

Nsc671997

Structural Information

Molecular Formula
C12H17F6NO3
SMILES
CCC(=O)NC(C(F)(F)F)(C(F)(F)F)OCC1(COC1)CC
InChI
InChI=1S/C12H17F6NO3/c1-3-8(20)19-10(11(13,14)15,12(16,17)18)22-7-9(4-2)5-21-6-9/h3-7H2,1-2H3,(H,19,20)
InChIKey
SUGCEXIULFFAEY-UHFFFAOYSA-N
Compound name
N-[2-[(3-ethyloxetan-3-yl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.11127 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.11855 175.2
[M+Na]+ 360.10049 179.5
[M-H]- 336.10399 171.3
[M+NH4]+ 355.14509 182.6
[M+K]+ 376.07443 182.0
[M+H-H2O]+ 320.10853 161.2
[M+HCOO]- 382.10947 184.3
[M+CH3COO]- 396.12512 212.0
[M+Na-2H]- 358.08594 178.9
[M]+ 337.11072 177.6
[M]- 337.11182 177.6
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.