CID 4077980

N-allylperfluorononanamide

Structural Information

Molecular Formula
C12H6F17NO
SMILES
C=CCNC(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H6F17NO/c1-2-3-30-4(31)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h2H,1,3H2,(H,30,31)
InChIKey
BOYMGTNGVSVGAX-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-prop-2-enylnonanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

503.0178 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.02508 170.8
[M+Na]+ 526.00702 178.4
[M-H]- 502.01052 180.0
[M+NH4]+ 521.05162 180.4
[M+K]+ 541.98096 185.6
[M+H-H2O]+ 486.01506 160.1
[M+HCOO]- 548.01600 188.7
[M+CH3COO]- 562.03165 240.0
[M+Na-2H]- 523.99247 170.4
[M]+ 503.01725 167.4
[M]- 503.01835 167.4
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.