CID 137095

1585-17-7

Structural Information

Molecular Formula

C₁₁H₁₄Cl₂

SMILES

CC1=CC(=C(C(=C1CCl)C)CCl)C

InChI

InChI=1S/C11H14Cl2/c1-7-4-8(2)11(6-13)9(3)10(7)5-12/h4H,5-6H2,1-3H3

InChIKey

JMNDJDCLOQRCJV-UHFFFAOYSA-N

Compound name

2,4-bis(chloromethyl)-1,3,5-trimethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 142
Patents: 216.04726 Da
Monoisotopic Mass: 3.8
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]+	217.05454	143.4
[M+Na]+	239.03648	159.8
[M+NH4]+	234.08108	153.6
[M+K]+	255.01042	150.5
[M-H]-	215.03998	146.9
[M+Na-2H]-	237.02193	151.0
[M]+	216.04671	147.6
[M]-	216.04781	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe