CID 477559

Chembl3327148

Structural Information

Molecular Formula
C9H7ClN2O4
SMILES
C1=CC(=CC=C1NN=C(C(=O)O)C(=O)O)Cl
InChI
InChI=1S/C9H7ClN2O4/c10-5-1-3-6(4-2-5)11-12-7(8(13)14)9(15)16/h1-4,11H,(H,13,14)(H,15,16)
InChIKey
WDAIWFJRXVKXNS-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)hydrazinylidene]propanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

67
Patents

242.00943 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.01671 147.0
[M+Na]+ 264.99865 153.8
[M-H]- 241.00215 149.6
[M+NH4]+ 260.04325 163.6
[M+K]+ 280.97259 150.9
[M+H-H2O]+ 225.00669 141.7
[M+HCOO]- 287.00763 166.2
[M+CH3COO]- 301.02328 191.5
[M+Na-2H]- 262.98410 150.6
[M]+ 242.00888 147.7
[M]- 242.00998 147.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe