CID 59532388

1110641-65-0

Structural Information

Molecular Formula

C₁₃H₁₇ClO

SMILES

CC(=C)CC(CCCl)(C1=CC=CC=C1)O

InChI

InChI=1S/C13H17ClO/c1-11(2)10-13(15,8-9-14)12-6-4-3-5-7-12/h3-7,15H,1,8-10H2,2H3

InChIKey

QPBMIQQUGIGPEM-UHFFFAOYSA-N

Compound name

1-chloro-5-methyl-3-phenylhex-5-en-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 107
Patents: 224.09679 Da
Monoisotopic Mass: 3.6
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]+	225.10407	151.8
[M+Na]+	247.08601	164.2
[M+NH4]+	242.13061	160.2
[M+K]+	263.05995	157.0
[M-H]-	223.08951	153.1
[M+Na-2H]-	245.07146	158.0
[M]+	224.09624	154.3
[M]-	224.09734	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe