CID 2736407

Ethyl 4,6-dichloro-1h-indole-2-carboxylate

Structural Information

Molecular Formula
C11H9Cl2NO2
SMILES
CCOC(=O)C1=CC2=C(N1)C=C(C=C2Cl)Cl
InChI
InChI=1S/C11H9Cl2NO2/c1-2-16-11(15)10-5-7-8(13)3-6(12)4-9(7)14-10/h3-5,14H,2H2,1H3
InChIKey
YLAHLUPONQVSOT-UHFFFAOYSA-N
Compound name
ethyl 4,6-dichloro-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

160
Patents

257.00104 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.00832 151.0
[M+Na]+ 279.99026 163.3
[M-H]- 255.99376 153.2
[M+NH4]+ 275.03486 170.7
[M+K]+ 295.96420 156.9
[M+H-H2O]+ 239.99830 146.5
[M+HCOO]- 301.99924 164.0
[M+CH3COO]- 316.01489 189.8
[M+Na-2H]- 277.97571 154.7
[M]+ 257.00049 156.8
[M]- 257.00159 156.8
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