CID 214101

Brn 2792529

Structural Information

Molecular Formula
C18H15Cl3N2O5
SMILES
CCOC(C(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl)NC2=CC=C(C=C2)C(=O)C(Cl)Cl
InChI
InChI=1S/C18H15Cl3N2O5/c1-2-28-18(16(25)13-9-12(23(26)27)7-8-14(13)19)22-11-5-3-10(4-6-11)15(24)17(20)21/h3-9,17-18,22H,2H2,1H3
InChIKey
HJSHVUYWXKYBHW-UHFFFAOYSA-N
Compound name
1-(2-chloro-5-nitrophenyl)-2-[4-(2,2-dichloroacetyl)anilino]-2-ethoxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.00467 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.01195 194.3
[M+Na]+ 466.99389 198.5
[M-H]- 442.99739 198.4
[M+NH4]+ 462.03849 203.1
[M+K]+ 482.96783 190.3
[M+H-H2O]+ 427.00193 193.5
[M+HCOO]- 489.00287 201.6
[M+CH3COO]- 503.01852 223.0
[M+Na-2H]- 464.97934 193.2
[M]+ 444.00412 198.9
[M]- 444.00522 198.9
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.