CID 14521700

11,11,11,12,12-pentafluoro-9z-dodecenyl acetate

Structural Information

Molecular Formula
C14H21F5O2
SMILES
CC(=O)OCCCCCCCC/C=C\C(C(F)(F)F)(F)F
InChI
InChI=1S/C14H21F5O2/c1-12(20)21-11-9-7-5-3-2-4-6-8-10-13(15,16)14(17,18)19/h8,10H,2-7,9,11H2,1H3/b10-8-
InChIKey
NGQFYLPHKQIHEH-NTMALXAHSA-N
Compound name
[(Z)-11,11,12,12,12-pentafluorododec-9-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.14618 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.15346 172.2
[M+Na]+ 339.13540 177.8
[M-H]- 315.13890 164.9
[M+NH4]+ 334.18000 186.7
[M+K]+ 355.10934 174.4
[M+H-H2O]+ 299.14344 162.7
[M+HCOO]- 361.14438 184.9
[M+CH3COO]- 375.16003 206.8
[M+Na-2H]- 337.12085 172.4
[M]+ 316.14563 169.6
[M]- 316.14673 169.6
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.