CID 20739733

1-bromo-2-chloro-4-(propan-2-yl)benzene

Structural Information

Molecular Formula

C₉H₁₀BrCl

SMILES

CC(C)C1=CC(=C(C=C1)Br)Cl

InChI

InChI=1S/C9H10BrCl/c1-6(2)7-3-4-8(10)9(11)5-7/h3-6H,1-2H3

InChIKey

LMQLTGKBVZVFIR-UHFFFAOYSA-N

Compound name

1-bromo-2-chloro-4-propan-2-ylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 231.96544 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]+	232.97272	138.6
[M+Na]+	254.95466	144.1
[M+NH4]+	249.99926	145.0
[M+K]+	270.92860	142.6
[M-H]-	230.95816	140.2
[M+Na-2H]-	252.94011	143.3
[M]+	231.96489	139.1
[M]-	231.96599	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe