CID 53424425

Dtxsid60698508

Structural Information

Molecular Formula

C₈H₁₁ClO₂

SMILES

COC1(C=CC=CC1CO)Cl

InChI

InChI=1S/C8H11ClO2/c1-11-8(9)5-3-2-4-7(8)6-10/h2-5,7,10H,6H2,1H3

InChIKey

WLVZFCLGSVUWSF-UHFFFAOYSA-N

Compound name

(6-chloro-6-methoxycyclohexa-2,4-dien-1-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 174.04475 Da
Monoisotopic Mass: 1.2
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]+	175.05203	132.2
[M+Na]+	197.03397	141.2
[M-H]-	173.03747	134.8
[M+NH4]+	192.07857	154.9
[M+K]+	213.00791	138.1
[M+H-H2O]+	157.04201	128.9
[M+HCOO]-	219.04295	150.2
[M+CH3COO]-	233.05860	174.6
[M+Na-2H]-	195.01942	139.6
[M]+	174.04420	134.0
[M]-	174.04530	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe