CID 59682187

1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-one

Structural Information

Molecular Formula

C₁₀H₁₀BrFO

SMILES

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

InChI

InChI=1S/C10H10BrFO/c1-6(2)10(13)8-4-3-7(11)5-9(8)12/h3-6H,1-2H3

InChIKey

YVCRHUDRWIOKCG-UHFFFAOYSA-N

Compound name

1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 243.98991 Da
Monoisotopic Mass: 3.4
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]+	244.99719	144.5
[M+Na]+	266.97913	156.2
[M-H]-	242.98263	149.9
[M+NH4]+	262.02373	165.9
[M+K]+	282.95307	145.4
[M+H-H2O]+	226.98717	144.1
[M+HCOO]-	288.98811	163.7
[M+CH3COO]-	303.00376	192.1
[M+Na-2H]-	264.96458	148.8
[M]+	243.98936	162.4
[M]-	243.99046	162.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe