CID 169502037

Diclofenac-o-imine-methine

Structural Information

Molecular Formula
C13H9Cl2N
SMILES
C=C1C=CC=CC1=NC2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C13H9Cl2N/c1-9-5-2-3-8-12(9)16-13-10(14)6-4-7-11(13)15/h2-8H,1H2
InChIKey
ORCBPRUTYDPFLS-UHFFFAOYSA-N
Compound name
N-(2,6-dichlorophenyl)-6-methylidenecyclohexa-2,4-dien-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.0112 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.01848 151.8
[M+Na]+ 272.00042 168.9
[M+NH4]+ 267.04502 162.2
[M+K]+ 287.97436 158.5
[M-H]- 248.00392 158.0
[M+Na-2H]- 269.98587 162.3
[M]+ 249.01065 156.8
[M]- 249.01175 156.8
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.