CID 2736230

175205-55-7

Structural Information

Molecular Formula

C₇H₂BrClF₃I

SMILES

C1=C(C=C(C(=C1Cl)I)Br)C(F)(F)F

InChI

InChI=1S/C7H2BrClF3I/c8-4-1-3(7(10,11)12)2-5(9)6(4)13/h1-2H

InChIKey

RDWKEGGZLPOJAE-UHFFFAOYSA-N

Compound name

1-bromo-3-chloro-2-iodo-5-(trifluoromethyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 383.80252 Da
Monoisotopic Mass: 4.8
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]+	384.80980	149.7
[M+Na]+	406.79174	158.1
[M-H]-	382.79524	146.6
[M+NH4]+	401.83634	166.3
[M+K]+	422.76568	150.4
[M+H-H2O]+	366.79978	145.6
[M+HCOO]-	428.80072	159.0
[M+CH3COO]-	442.81637	200.8
[M+Na-2H]-	404.77719	144.8
[M]+	383.80197	163.2
[M]-	383.80307	163.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe