CID 34529

754-17-6

Structural Information

Molecular Formula

C₂Br₂ClF₃

SMILES

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

InChI

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

InChIKey

WGIRTDAEWOUFQR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
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	140.0
[M+Na]+	296.78997	153.5
[M-H]-	272.79347	141.9
[M+NH4]+	291.83457	160.7
[M+K]+	312.76391	136.1
[M+H-H2O]+	256.79801	147.8
[M+HCOO]-	318.79895	148.6
[M+CH3COO]-	332.81460	197.2
[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