CID 79007

2,2-dibromo-1,1,1-trifluoropropane

Structural Information

Molecular Formula

C₃H₃Br₂F₃

SMILES

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

InChI

InChI=1S/C3H3Br2F3/c1-2(4,5)3(6,7)8/h1H3

InChIKey

QLFNALFIHRMXPX-UHFFFAOYSA-N

Compound name

2,2-dibromo-1,1,1-trifluoropropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 253.85536 Da
Monoisotopic Mass: 3.2
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]+	254.86264	140.1
[M+Na]+	276.84458	152.2
[M-H]-	252.84808	141.8
[M+NH4]+	271.88918	160.6
[M+K]+	292.81852	136.6
[M+H-H2O]+	236.85262	147.2
[M+HCOO]-	298.85356	151.9
[M+CH3COO]-	312.86921	196.5
[M+Na-2H]-	274.83003	147.5
[M]+	253.85481	169.5
[M]-	253.85591	169.5

Literature stripe

literature stripe

Patent stripe

patents stripe