CID 9570816

73806-33-4

Structural Information

Molecular Formula
C15H11ClN2O2
SMILES
COC1=CC=C(C=C1)/C(=C/2\C=C/C(=N\O)/C(=C2)Cl)/C#N
InChI
InChI=1S/C15H11ClN2O2/c1-20-12-5-2-10(3-6-12)13(9-17)11-4-7-15(18-19)14(16)8-11/h2-8,19H,1H3/b13-11+,18-15+
InChIKey
DFEWDPRFZHMTII-COWYBJPUSA-N
Compound name
(2Z)-2-[(4E)-3-chloro-4-hydroxyiminocyclohexa-2,5-dien-1-ylidene]-2-(4-methoxyphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0509 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05818 168.5
[M+Na]+ 309.04012 179.1
[M-H]- 285.04362 174.0
[M+NH4]+ 304.08472 183.1
[M+K]+ 325.01406 172.0
[M+H-H2O]+ 269.04816 155.5
[M+HCOO]- 331.04910 184.0
[M+CH3COO]- 345.06475 210.8
[M+Na-2H]- 307.02557 170.7
[M]+ 286.05035 164.4
[M]- 286.05145 164.4
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.