CID 9634

354-51-8

Structural Information

Molecular Formula

C₂Br₂ClF₃

SMILES

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

InChI

InChI=1S/C2Br2ClF3/c3-1(5,6)2(4,7)8

InChIKey

OVZATIUQXBLIQT-UHFFFAOYSA-N

Compound name

1,2-dibromo-1-chloro-1,2,2-trifluoroethane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 640
Patents: 273.80075 Da
Monoisotopic Mass: 3.5
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]+	274.80803	139.9
[M+Na]+	296.78997	153.4
[M-H]-	272.79347	141.8
[M+NH4]+	291.83457	160.6
[M+K]+	312.76391	136.0
[M+H-H2O]+	256.79801	147.7
[M+HCOO]-	318.79895	148.5
[M+CH3COO]-	332.81460	197.7
[M+Na-2H]-	294.77542	147.7
[M]+	273.80020	170.5
[M]-	273.80130	170.5

Literature stripe

literature stripe

Patent stripe

patents stripe