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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	504.025076	170.8
[M+Na]+	526.007018	178.4
[M-H]-	502.010524	180.0
[M+NH4]+	521.051623	180.4
[M+K]+	541.980958	185.6
[M+H-H2O]+	486.015060	160.1
[M+HCOO]-	548.016001	188.7
[M+CH3COO]-	562.031651	240.0
[M+Na-2H]-	523.992466	170.4
[M]+	503.01725142	167.4
[M]-	503.01834858	167.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.