CID 6430

Chloropentafluoroethane

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8

InChIKey

RFCAUADVODFSLZ-UHFFFAOYSA-N

Compound name

1-chloro-1,1,2,2,2-pentafluoroethane

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 6
References: 8328
Patents: 153.96086 Da
Monoisotopic Mass: 2.6
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]+	154.96814	116.0
[M+Na]+	176.95008	126.7
[M-H]-	152.95358	110.7
[M+NH4]+	171.99468	137.9
[M+K]+	192.92402	124.1
[M+H-H2O]+	136.95812	109.7
[M+HCOO]-	198.95906	128.2
[M+CH3COO]-	212.97471	173.6
[M+Na-2H]-	174.93553	123.4
[M]+	153.96031	110.1
[M]-	153.96141	110.1

Literature stripe

literature stripe

Patent stripe

patents stripe