CID 14354629

7,7-difluoro-8z-dodecenyl acetate

Structural Information

Molecular Formula

C₁₄H₂₄F₂O₂

SMILES

CCC/C=C\C(CCCCCCOC(=O)C)(F)F

InChI

InChI=1S/C14H24F2O2/c1-3-4-7-10-14(15,16)11-8-5-6-9-12-18-13(2)17/h7,10H,3-6,8-9,11-12H2,1-2H3/b10-7-

InChIKey

QXRHOBWXLBAWOX-YFHOEESVSA-N

Compound name

[(Z)-7,7-difluorododec-8-enyl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 262.17444 Da
Monoisotopic Mass: 4.6
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]+	263.18172	164.4
[M+Na]+	285.16366	169.4
[M-H]-	261.16716	160.9
[M+NH4]+	280.20826	181.4
[M+K]+	301.13760	166.8
[M+H-H2O]+	245.17170	157.3
[M+HCOO]-	307.17264	181.9
[M+CH3COO]-	321.18829	198.7
[M+Na-2H]-	283.14911	165.6
[M]+	262.17389	166.5
[M]-	262.17499	166.5

Literature stripe

literature stripe

Patent stripe

patents stripe