CID 217295

38507-87-8

Structural Information

Molecular Formula
C16H15Cl2NO4
SMILES
CCOC(=O)C1=CC=CCC1(C(=O)NC2=CC(=CC(=C2)Cl)Cl)O
InChI
InChI=1S/C16H15Cl2NO4/c1-2-23-14(20)13-5-3-4-6-16(13,22)15(21)19-12-8-10(17)7-11(18)9-12/h3-5,7-9,22H,2,6H2,1H3,(H,19,21)
InChIKey
IARICXOFTCUCMC-UHFFFAOYSA-N
Compound name
ethyl 6-[(3,5-dichlorophenyl)carbamoyl]-6-hydroxycyclohexa-1,3-diene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.0378 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.04508 173.9
[M+Na]+ 378.02702 182.2
[M-H]- 354.03052 179.2
[M+NH4]+ 373.07162 189.4
[M+K]+ 394.00096 176.8
[M+H-H2O]+ 338.03506 169.2
[M+HCOO]- 400.03600 185.8
[M+CH3COO]- 414.05165 209.0
[M+Na-2H]- 376.01247 176.0
[M]+ 355.03725 178.1
[M]- 355.03835 178.1
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.