CID 56776430

1309602-53-6

Structural Information

Molecular Formula

C₃H₂Br₂F₂O

SMILES

C(C(=O)C(Br)Br)(F)F

InChI

InChI=1S/C3H2Br2F2O/c4-2(5)1(8)3(6)7/h2-3H

InChIKey

KWHXLPQZAKVVKV-UHFFFAOYSA-N

Compound name

1,1-dibromo-3,3-difluoropropan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 249.84406 Da
Monoisotopic Mass: 2.5
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]+	250.85134	133.8
[M+Na]+	272.83328	144.5
[M-H]-	248.83678	136.1
[M+NH4]+	267.87788	154.0
[M+K]+	288.80722	129.7
[M+H-H2O]+	232.84132	140.6
[M+HCOO]-	294.84226	146.8
[M+CH3COO]-	308.85791	196.9
[M+Na-2H]-	270.81873	138.4
[M]+	249.84351	164.3
[M]-	249.84461	164.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.