CID 76545605

Dtxsid00895231

Structural Information

Molecular Formula

C₇H₂F₁₂

SMILES

C(=CC(C(F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F

InChI

InChI=1S/C7H2F12/c8-3(9,5(12,13)7(17,18)19)1-2-4(10,11)6(14,15)16/h1-2H

InChIKey

YWSYXYXSEWRSMA-UHFFFAOYSA-N

Compound name

1,1,1,2,2,5,5,6,6,7,7,7-dodecafluorohept-3-ene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 174
Patents: 313.9965 Da
Monoisotopic Mass: 4.7
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]+	315.00378	155.6
[M+Na]+	336.98572	165.3
[M-H]-	312.98922	142.4
[M+NH4]+	332.03032	169.2
[M+K]+	352.95966	161.7
[M+H-H2O]+	296.99376	142.9
[M+HCOO]-	358.99470	158.7
[M+CH3COO]-	373.01035	205.3
[M+Na-2H]-	334.97117	158.8
[M]+	313.99595	136.6
[M]-	313.99705	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe