CID 14024088

118777-97-2

Structural Information

Molecular Formula

C₁₁H₉F₉

SMILES

C1C2CC(C1C=C2)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C11H9F9/c12-8(13,7-4-5-1-2-6(7)3-5)9(14,15)10(16,17)11(18,19)20/h1-2,5-7H,3-4H2

InChIKey

QAIOQFZLAKMXNK-UHFFFAOYSA-N

Compound name

5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-2-ene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 172
Patents: 312.05606 Da
Monoisotopic Mass: 5.0
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]+	313.06334	163.1
[M+Na]+	335.04528	172.1
[M-H]-	311.04878	155.4
[M+NH4]+	330.08988	182.3
[M+K]+	351.01922	168.1
[M+H-H2O]+	295.05332	153.4
[M+HCOO]-	357.05426	169.3
[M+CH3COO]-	371.06991	205.4
[M+Na-2H]-	333.03073	165.5
[M]+	312.05551	149.9
[M]-	312.05661	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe