CID 6090405

Nsc102224

Structural Information

Molecular Formula
C16H13ClN2O2
SMILES
CC\1=C(/C(=C(\C#N)/C2=CC=C(C=C2)OC)/C=C/C1=N/O)Cl
InChI
InChI=1S/C16H13ClN2O2/c1-10-15(19-20)8-7-13(16(10)17)14(9-18)11-3-5-12(21-2)6-4-11/h3-8,20H,1-2H3/b14-13+,19-15-
InChIKey
XABHEHXHSDMSFU-MYCMRBOKSA-N
Compound name
(2Z)-2-[(4Z)-2-chloro-4-hydroxyimino-3-methylcyclohexa-2,5-dien-1-ylidene]-2-(4-methoxyphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.06656 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07384 167.2
[M+Na]+ 323.05578 180.5
[M+NH4]+ 318.10038 171.5
[M+K]+ 339.02972 169.9
[M-H]- 299.05928 164.0
[M+Na-2H]- 321.04123 171.7
[M]+ 300.06601 167.6
[M]- 300.06711 167.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.