CID 3592868

4-chloro-2-isopropyl-5-methylanisole

Structural Information

Molecular Formula

C₁₁H₁₅ClO

SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OC

InChI

InChI=1S/C11H15ClO/c1-7(2)9-6-10(12)8(3)5-11(9)13-4/h5-7H,1-4H3

InChIKey

YNJGJMNRDOIOQS-UHFFFAOYSA-N

Compound name

1-chloro-4-methoxy-2-methyl-5-propan-2-ylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 198.08115 Da
Monoisotopic Mass: 4.2
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]+	199.08843	139.9
[M+Na]+	221.07037	149.9
[M-H]-	197.07387	144.2
[M+NH4]+	216.11497	161.1
[M+K]+	237.04431	146.6
[M+H-H2O]+	181.07841	135.7
[M+HCOO]-	243.07935	158.6
[M+CH3COO]-	257.09500	187.5
[M+Na-2H]-	219.05582	143.5
[M]+	198.08060	144.6
[M]-	198.08170	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe