CID 15389836

187804-77-9

Structural Information

Molecular Formula

C₁₂H₅BrF₄

SMILES

C1=CC(=C(C=C1Br)F)C2=CC(=C(C(=C2)F)F)F

InChI

InChI=1S/C12H5BrF4/c13-7-1-2-8(9(14)5-7)6-3-10(15)12(17)11(16)4-6/h1-5H

InChIKey

OWPPGBVJDFFHCI-UHFFFAOYSA-N

Compound name

5-(4-bromo-2-fluorophenyl)-1,2,3-trifluorobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 303.95108 Da
Monoisotopic Mass: 4.6
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]+	304.95836	157.2
[M+Na]+	326.94030	172.1
[M-H]-	302.94380	162.6
[M+NH4]+	321.98490	176.6
[M+K]+	342.91424	158.7
[M+H-H2O]+	286.94834	153.7
[M+HCOO]-	348.94928	175.5
[M+CH3COO]-	362.96493	201.9
[M+Na-2H]-	324.92575	160.8
[M]+	303.95053	171.6
[M]-	303.95163	171.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe