CID 3016582

4-chloro-2-isopropyl-m-cresol

Structural Information

Molecular Formula

C₁₀H₁₃ClO

SMILES

CC1=C(C=CC(=C1C(C)C)O)Cl

InChI

InChI=1S/C10H13ClO/c1-6(2)10-7(3)8(11)4-5-9(10)12/h4-6,12H,1-3H3

InChIKey

JSOXHHYKGWBWGR-UHFFFAOYSA-N

Compound name

4-chloro-3-methyl-2-propan-2-ylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 184.06549 Da
Monoisotopic Mass: 3.7
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]+	185.072766	136.0
[M+Na]+	207.054708	145.9
[M-H]-	183.058214	139.0
[M+NH4]+	202.099313	157.0
[M+K]+	223.028648	142.0
[M+H-H2O]+	167.062750	132.3
[M+HCOO]-	229.063691	153.5
[M+CH3COO]-	243.079341	181.9
[M+Na-2H]-	205.040156	139.6
[M]+	184.06494142	138.4
[M]-	184.06603858	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe