CID 78518

Ethyl 5-chloro-1h-indole-2-carboxylate

Structural Information

Molecular Formula
C11H10ClNO2
SMILES
CCOC(=O)C1=CC2=C(N1)C=CC(=C2)Cl
InChI
InChI=1S/C11H10ClNO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,13H,2H2,1H3
InChIKey
LWKIFKYHCJAIAB-UHFFFAOYSA-N
Compound name
ethyl 5-chloro-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

489
Patents

223.04001 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.047286 145.2
[M+Na]+ 246.029228 156.4
[M-H]- 222.032734 147.8
[M+NH4]+ 241.073833 165.7
[M+K]+ 262.003168 151.2
[M+H-H2O]+ 206.037270 139.9
[M+HCOO]- 268.038211 163.4
[M+CH3COO]- 282.053861 184.0
[M+Na-2H]- 244.014676 150.4
[M]+ 223.03946142 149.7
[M]- 223.04055858 149.7
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