CID 112521

2-propenoyl chloride, 3,3'-(azoxydi-4,1-phenylene)bis-

Structural Information

Molecular Formula
C18H12Cl2N2O3
SMILES
C1=CC(=CC=C1C=CC(=O)Cl)N=[N+](C2=CC=C(C=C2)C=CC(=O)Cl)[O-]
InChI
InChI=1S/C18H12Cl2N2O3/c19-17(23)11-5-13-1-7-15(8-2-13)21-22(25)16-9-3-14(4-10-16)6-12-18(20)24/h1-12H
InChIKey
OLHJZXPBTHFEDI-UHFFFAOYSA-N
Compound name
[4-(3-chloro-3-oxoprop-1-enyl)phenyl]-[4-(3-chloro-3-oxoprop-1-enyl)phenyl]imino-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.0225 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.02978 182.5
[M+Na]+ 397.01172 197.3
[M+NH4]+ 392.05632 189.5
[M+K]+ 412.98566 190.7
[M-H]- 373.01522 187.6
[M+Na-2H]- 394.99717 190.0
[M]+ 374.02195 186.5
[M]- 374.02305 186.5
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.