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]+ 536.01488 172.1
[M+Na]+ 557.99682 179.0
[M-H]- 534.00032 182.7
[M+NH4]+ 553.04142 183.1
[M+K]+ 573.97076 186.1
[M+H-H2O]+ 518.00486 161.8
[M+HCOO]- 580.00580 190.3
[M+CH3COO]- 594.02145 242.1
[M+Na-2H]- 555.98227 171.4
[M]+ 535.00705 168.8
[M]- 535.00815 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.