CID 162345662

Ns00133305

Structural Information

Molecular Formula

SMILES

C1=CC(=N)C=C(C1O)Cl

InChI

InChI=1S/C6H6ClNO/c7-5-3-4(8)1-2-6(5)9/h1-3,6,8-9H

InChIKey

YZRZAVDKJJEVOK-UHFFFAOYSA-N

Compound name

2-chloro-4-iminocyclohexa-2,5-dien-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 143.0138 Da
Monoisotopic Mass: 0.4
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]+	144.021076	124.3
[M+Na]+	166.003018	133.6
[M-H]-	142.006524	127.1
[M+NH4]+	161.047623	146.0
[M+K]+	181.976958	129.6
[M+H-H2O]+	126.011060	120.5
[M+HCOO]-	188.012001	143.8
[M+CH3COO]-	202.027651	172.0
[M+Na-2H]-	163.988466	131.0
[M]+	143.01325142	122.4
[M]-	143.01434858	122.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.