CID 11150030

217479-61-3

Structural Information

Molecular Formula

C₇H₄BrCl₃

SMILES

C1=C(C=C(C(=C1Cl)CBr)Cl)Cl

InChI

InChI=1S/C7H4BrCl3/c8-3-5-6(10)1-4(9)2-7(5)11/h1-2H,3H2

InChIKey

HOXSDYSZXAATIK-UHFFFAOYSA-N

Compound name

2-(bromomethyl)-1,3,5-trichlorobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 271.8562 Da
Monoisotopic Mass: 4.4
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]+	272.863476	138.9
[M+Na]+	294.845418	154.5
[M-H]-	270.848924	144.1
[M+NH4]+	289.890023	160.8
[M+K]+	310.819358	139.8
[M+H-H2O]+	254.853460	142.0
[M+HCOO]-	316.854401	147.0
[M+CH3COO]-	330.870051	192.8
[M+Na-2H]-	292.830866	145.2
[M]+	271.85565142	159.6
[M]-	271.85674858	159.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe