CID 18335930

(perfluorononyl)methane

Structural Information

Molecular Formula

C₉H₃F₁₇

SMILES

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

InChI

InChI=1S/C9H3F17/c1-2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h1H3

InChIKey

RGCZNDTZMIFXGW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 252
Patents: 433.99634 Da
Monoisotopic Mass: 6.4
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]+	435.00362	184.1
[M+Na]+	456.98556	163.4
[M-H]-	432.98906	162.0
[M+NH4]+	452.03016	165.0
[M+K]+	472.95950	190.3
[M+H-H2O]+	416.99360	168.8
[M+HCOO]-	478.99454	178.2
[M+CH3COO]-	493.01019	228.9
[M+Na-2H]-	454.97101	186.6
[M]+	433.99579	156.6
[M]-	433.99689	156.6

Literature stripe

literature stripe

Patent stripe

patents stripe