CID 10956501

155630-26-5

Structural Information

Molecular Formula

C₆H₇BrClF₃O

SMILES

CC(=O)CCC(C(F)(F)Br)(F)Cl

InChI

InChI=1S/C6H7BrClF3O/c1-4(12)2-3-5(8,9)6(7,10)11/h2-3H2,1H3

InChIKey

IPNZTHFBEOLUHV-UHFFFAOYSA-N

Compound name

6-bromo-5-chloro-5,6,6-trifluorohexan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 265.9321 Da
Monoisotopic Mass: 2.7
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]+	266.93938	156.0
[M+Na]+	288.92132	155.5
[M+NH4]+	283.96592	158.0
[M+K]+	304.89526	156.3
[M-H]-	264.92482	149.6
[M+Na-2H]-	286.90677	154.5
[M]+	265.93155	153.0
[M]-	265.93265	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.