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 187.9
[M+Na]+ 397.01172 193.6
[M-H]- 373.01522 194.1
[M+NH4]+ 392.05632 200.0
[M+K]+ 412.98566 182.6
[M+H-H2O]+ 357.01976 185.4
[M+HCOO]- 419.02070 203.5
[M+CH3COO]- 433.03635 210.8
[M+Na-2H]- 394.99717 189.8
[M]+ 374.02195 189.9
[M]- 374.02305 189.9
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.