CID 44096

62586-97-4

Structural Information

Molecular Formula

C₁₃H₁₅ClO

SMILES

C1CC1C(C2CC2)(C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C13H15ClO/c14-12-7-5-11(6-8-12)13(15,9-1-2-9)10-3-4-10/h5-10,15H,1-4H2

InChIKey

OVIMMGOKMSTAHQ-UHFFFAOYSA-N

Compound name

(4-chlorophenyl)-dicyclopropylmethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 9
Patents: 222.08115 Da
Monoisotopic Mass: 4.0
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]+	223.08843	131.8
[M+Na]+	245.07037	145.9
[M+NH4]+	240.11497	141.3
[M+K]+	261.04431	143.4
[M-H]-	221.07387	147.3
[M+Na-2H]-	243.05582	145.0
[M]+	222.08060	140.5
[M]-	222.08170	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe