CID 564883

1-(phenylhydrazone)oxaniloyl chloride

Structural Information

Molecular Formula
C14H12ClN3O
SMILES
C1=CC=C(C=C1)NC(=O)C(=NNC2=CC=CC=C2)Cl
InChI
InChI=1S/C14H12ClN3O/c15-13(18-17-12-9-5-2-6-10-12)14(19)16-11-7-3-1-4-8-11/h1-10,17H,(H,16,19)
InChIKey
PUKSXDOBWDDAGI-UHFFFAOYSA-N
Compound name
2-anilino-2-oxo-N-phenylethanehydrazonoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0669 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.07418 160.7
[M+Na]+ 296.05612 166.0
[M-H]- 272.05962 168.1
[M+NH4]+ 291.10072 176.7
[M+K]+ 312.03006 161.3
[M+H-H2O]+ 256.06416 152.8
[M+HCOO]- 318.06510 183.7
[M+CH3COO]- 332.08075 203.9
[M+Na-2H]- 294.04157 167.3
[M]+ 273.06635 160.5
[M]- 273.06745 160.5
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.