CID 2794948

Ethyl 4,6-dichloro-3-formyl-1h-indole-2-carboxylate

Structural Information

Molecular Formula
C12H9Cl2NO3
SMILES
CCOC(=O)C1=C(C2=C(N1)C=C(C=C2Cl)Cl)C=O
InChI
InChI=1S/C12H9Cl2NO3/c1-2-18-12(17)11-7(5-16)10-8(14)3-6(13)4-9(10)15-11/h3-5,15H,2H2,1H3
InChIKey
NFILHPVBZNKVNP-UHFFFAOYSA-N
Compound name
ethyl 4,6-dichloro-3-formyl-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

284.99594 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.003216 156.9
[M+Na]+ 307.985158 169.8
[M-H]- 283.988664 159.4
[M+NH4]+ 303.029763 175.6
[M+K]+ 323.959098 163.2
[M+H-H2O]+ 267.993200 152.5
[M+HCOO]- 329.994141 169.9
[M+CH3COO]- 344.009791 195.1
[M+Na-2H]- 305.970606 159.5
[M]+ 284.99539142 164.2
[M]- 284.99648858 164.2
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

patents stripe