CID 5048872

340223-30-5

Structural Information

Molecular Formula
C15H11Cl2N3O3
SMILES
C1=CC(=CC=C1C=NNC(=O)N)OC(=O)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H11Cl2N3O3/c16-10-3-6-12(13(17)7-10)14(21)23-11-4-1-9(2-5-11)8-19-20-15(18)22/h1-8H,(H3,18,20,22)
InChIKey
NGLMQVIPZORIIX-UHFFFAOYSA-N
Compound name
[4-[(carbamoylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.01776 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.02504 177.7
[M+Na]+ 374.00698 185.9
[M-H]- 350.01048 185.0
[M+NH4]+ 369.05158 191.6
[M+K]+ 389.98092 180.4
[M+H-H2O]+ 334.01502 171.0
[M+HCOO]- 396.01596 195.3
[M+CH3COO]- 410.03161 217.0
[M+Na-2H]- 371.99243 179.9
[M]+ 351.01721 181.6
[M]- 351.01831 181.6
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.