CID 21115605

Schembl22713823

Structural Information

Molecular Formula

C₈H₂ClF₁₅

SMILES

C(C(C(C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F

InChI

InChI=1S/C8H2ClF15/c9-8(23,24)7(21,22)6(19,20)5(17,18)4(15,16)3(13,14)2(11,12)1-10/h1H2

InChIKey

RPCAYPDVYFWAQH-UHFFFAOYSA-N

Compound name

1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorooctane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 417.96054 Da
Monoisotopic Mass: 6.0
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]+	418.967816	173.4
[M+Na]+	440.949758	183.7
[M-H]-	416.953264	158.4
[M+NH4]+	435.994363	161.2
[M+K]+	456.923698	178.5
[M+H-H2O]+	400.957800	159.5
[M+HCOO]-	462.958741	166.7
[M+CH3COO]-	476.974391	224.0
[M+Na-2H]-	438.935206	176.5
[M]+	417.95999142	152.1
[M]-	417.96108858	152.1

Literature stripe

literature stripe

Patent stripe

patents stripe