CID 56120

Brn 3102290

Structural Information

Molecular Formula
C10H10Cl2N2O4
SMILES
CCOC(=O)CNC1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl
InChI
InChI=1S/C10H10Cl2N2O4/c1-2-18-10(15)5-13-8-3-6(11)7(12)4-9(8)14(16)17/h3-4,13H,2,5H2,1H3
InChIKey
PZXMGEISRLXCSB-UHFFFAOYSA-N
Compound name
ethyl 2-(4,5-dichloro-2-nitroanilino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.00177 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.00905 159.9
[M+Na]+ 314.99099 167.8
[M-H]- 290.99449 162.9
[M+NH4]+ 310.03559 175.8
[M+K]+ 330.96493 159.9
[M+H-H2O]+ 274.99903 160.3
[M+HCOO]- 336.99997 176.2
[M+CH3COO]- 351.01562 195.4
[M+Na-2H]- 312.97644 164.1
[M]+ 292.00122 164.0
[M]- 292.00232 164.0
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.