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
2
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 152.6
[M+Na]+ 272.00042 162.9
[M-H]- 248.00392 160.0
[M+NH4]+ 267.04502 171.7
[M+K]+ 287.97436 155.8
[M+H-H2O]+ 232.00846 146.8
[M+HCOO]- 294.00940 168.9
[M+CH3COO]- 308.02505 196.1
[M+Na-2H]- 269.98587 157.3
[M]+ 249.01065 154.1
[M]- 249.01175 154.1
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.