CID 14204129

N-allylperfluoro-2-(2-propoxypropoxy)propanamide

Structural Information

Molecular Formula
C12H6F17NO3
SMILES
C=CCNC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F
InChI
InChI=1S/C12H6F17NO3/c1-2-3-30-4(31)5(13,8(17,18)19)32-12(28,29)7(16,10(23,24)25)33-11(26,27)6(14,15)9(20,21)22/h2H,1,3H2,(H,30,31)
InChIKey
BUSXJIQRFNBMLP-UHFFFAOYSA-N
Compound name
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-prop-2-enylpropanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

535.0076 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.014876 172.1
[M+Na]+ 557.996818 179.0
[M-H]- 534.000324 182.7
[M+NH4]+ 553.041423 183.1
[M+K]+ 573.970758 186.1
[M+H-H2O]+ 518.004860 161.8
[M+HCOO]- 580.005801 190.3
[M+CH3COO]- 594.021451 242.1
[M+Na-2H]- 555.982266 171.4
[M]+ 535.00705142 168.8
[M]- 535.00814858 168.8
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.