CID 67719

Bromopentafluoroethane

Structural Information

Molecular Formula

SMILES

C(C(F)(F)Br)(F)(F)F

InChI

InChI=1S/C2BrF5/c3-1(4,5)2(6,7)8

InChIKey

USYVEDJTMCGMKN-UHFFFAOYSA-N

Compound name

1-bromo-1,1,2,2,2-pentafluoroethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 303
Patents: 197.91035 Da
Monoisotopic Mass: 2.9
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]+	198.91763	131.4
[M+Na]+	220.89957	144.7
[M-H]-	196.90307	129.2
[M+NH4]+	215.94417	154.1
[M+K]+	236.87351	134.3
[M+H-H2O]+	180.90761	129.6
[M+HCOO]-	242.90855	145.9
[M+CH3COO]-	256.92420	180.4
[M+Na-2H]-	218.88502	139.1
[M]+	197.90980	142.1
[M]-	197.91090	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe