CID 32473

24518-45-4

Structural Information

Molecular Formula
C18H16Cl2N2O5
SMILES
CCOC(C(=O)C1=CC=C(C=C1)[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)C(Cl)Cl
InChI
InChI=1S/C18H16Cl2N2O5/c1-2-27-18(16(24)12-5-9-14(10-6-12)22(25)26)21-13-7-3-11(4-8-13)15(23)17(19)20/h3-10,17-18,21H,2H2,1H3
InChIKey
YCBRVFDYHBASDX-UHFFFAOYSA-N
Compound name
2-[4-(2,2-dichloroacetyl)anilino]-2-ethoxy-1-(4-nitrophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.04364 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.05092 189.6
[M+Na]+ 433.03286 193.2
[M-H]- 409.03636 194.7
[M+NH4]+ 428.07746 199.4
[M+K]+ 449.00680 185.2
[M+H-H2O]+ 393.04090 187.7
[M+HCOO]- 455.04184 202.2
[M+CH3COO]- 469.05749 217.6
[M+Na-2H]- 431.01831 190.1
[M]+ 410.04309 193.3
[M]- 410.04419 193.3
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.