CID 67564

Octafluoronaphthalene

Structural Information

Molecular Formula

C₁₀F₈

SMILES

C12=C(C(=C(C(=C1F)F)F)F)C(=C(C(=C2F)F)F)F

InChI

InChI=1S/C10F8/c11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12

InChIKey

JDCMOHAFGDQQJX-UHFFFAOYSA-N

Compound name

1,2,3,4,5,6,7,8-octafluoronaphthalene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 18
References: 1669
Patents: 271.9872 Da
Monoisotopic Mass: 4.0
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]+	272.99448	145.1
[M+Na]+	294.97642	161.2
[M-H]-	270.97992	141.7
[M+NH4]+	290.02102	163.8
[M+K]+	310.95036	154.8
[M+H-H2O]+	254.98446	133.3
[M+HCOO]-	316.98540	160.2
[M+CH3COO]-	331.00105	204.0
[M+Na-2H]-	292.96187	145.3
[M]+	271.98665	137.5
[M]-	271.98775	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe