CID 39178

1-bromo-1,1-dichloro-2,2,2-trifluoroethane

Structural Information

Molecular Formula

C₂BrCl₂F₃

SMILES

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

InChI

InChI=1S/C2BrCl2F3/c3-1(4,5)2(6,7)8

InChIKey

ZKMFFBJKSALGEO-UHFFFAOYSA-N

Compound name

1-bromo-1,1-dichloro-2,2,2-trifluoroethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 229.85126 Da
Monoisotopic Mass: 3.4
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]+	230.85854	131.2
[M+Na]+	252.84048	146.0
[M-H]-	228.84398	131.1
[M+NH4]+	247.88508	154.2
[M+K]+	268.81442	132.4
[M+H-H2O]+	212.84852	132.5
[M+HCOO]-	274.84946	138.8
[M+CH3COO]-	288.86511	183.1
[M+Na-2H]-	250.82593	139.6
[M]+	229.85071	146.9
[M]-	229.85181	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe