CID 2735856

31164-13-3

Structural Information

Molecular Formula
C12H12F9NO
SMILES
CC(=O)N1CC(C(=C)C1)CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H12F9NO/c1-6-4-22(7(2)23)5-8(6)3-9(13,14)10(15,16)11(17,18)12(19,20)21/h8H,1,3-5H2,2H3
InChIKey
CFZPILZXWJKGJJ-UHFFFAOYSA-N
Compound name
1-[3-methylidene-4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)pyrrolidin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

357.0775 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.08478 170.4
[M+Na]+ 380.06672 178.6
[M-H]- 356.07022 161.7
[M+NH4]+ 375.11132 183.4
[M+K]+ 396.04066 174.7
[M+H-H2O]+ 340.07476 158.8
[M+HCOO]- 402.07570 174.3
[M+CH3COO]- 416.09135 213.1
[M+Na-2H]- 378.05217 169.4
[M]+ 357.07695 155.8
[M]- 357.07805 155.8
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.