CID 10423819

95728-57-7

Structural Information

Molecular Formula

C₁₀H₈BrF₃O

SMILES

CC(C(=O)C1=CC=C(C=C1)C(F)(F)F)Br

InChI

InChI=1S/C10H8BrF3O/c1-6(11)9(15)7-2-4-8(5-3-7)10(12,13)14/h2-6H,1H3

InChIKey

NFXCMWCJLDRJIM-UHFFFAOYSA-N

Compound name

2-bromo-1-[4-(trifluoromethyl)phenyl]propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 279.97107 Da
Monoisotopic Mass: 3.7
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]+	280.97835	159.6
[M+Na]+	302.96029	160.4
[M+NH4]+	298.00489	162.0
[M+K]+	318.93423	160.7
[M-H]-	278.96379	155.6
[M+Na-2H]-	300.94574	160.3
[M]+	279.97052	157.3
[M]-	279.97162	157.3

Literature stripe

literature stripe

Patent stripe

patents stripe