CID 12521067

Perfluorotetralin

Structural Information

Molecular Formula

C₁₀F₁₂

SMILES

C12=C(C(=C(C(=C1F)F)F)F)C(C(C(C2(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C10F12/c11-3-1-2(4(12)6(14)5(3)13)8(17,18)10(21,22)9(19,20)7(1,15)16

InChIKey

FJMMRMQACFEXIL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 54
Patents: 347.98083 Da
Monoisotopic Mass: 4.3
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]+	348.98811	152.7
[M+Na]+	370.97005	170.9
[M-H]-	346.97355	145.7
[M+NH4]+	366.01465	175.2
[M+K]+	386.94399	164.5
[M+H-H2O]+	330.97809	140.5
[M+HCOO]-	392.97903	160.9
[M+CH3COO]-	406.99468	215.3
[M+Na-2H]-	368.95550	153.9
[M]+	347.98028	139.0
[M]-	347.98138	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe