CID 22177452

Pentadecafluorooctane

Structural Information

Molecular Formula

C₈H₃F₁₅

SMILES

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

InChI

InChI=1S/C8H3F15/c1-2(9,10)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h1H3

InChIKey

ZFSCLZUVAYTCRU-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 731
Patents: 383.9995 Da
Monoisotopic Mass: 5.7
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]+	385.00678	171.8
[M+Na]+	406.98872	181.5
[M-H]-	382.99222	156.7
[M+NH4]+	402.03332	156.6
[M+K]+	422.96266	178.3
[M+H-H2O]+	366.99676	157.6
[M+HCOO]-	428.99770	171.4
[M+CH3COO]-	443.01335	220.3
[M+Na-2H]-	404.97417	174.9
[M]+	383.99895	148.2
[M]-	384.00005	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe