CID 14713789

43142-66-1

Structural Information

Molecular Formula
C12H12ClNO3
SMILES
CCOC(=O)C1=CC2=C(N1)C(=C(C=C2)Cl)OC
InChI
InChI=1S/C12H12ClNO3/c1-3-17-12(15)9-6-7-4-5-8(13)11(16-2)10(7)14-9/h4-6,14H,3H2,1-2H3
InChIKey
WSJMEPQKCXSGBI-UHFFFAOYSA-N
Compound name
ethyl 6-chloro-7-methoxy-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.05057 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.05785 152.3
[M+Na]+ 276.03979 163.8
[M-H]- 252.04329 155.1
[M+NH4]+ 271.08439 171.8
[M+K]+ 292.01373 159.0
[M+H-H2O]+ 236.04783 147.0
[M+HCOO]- 298.04877 170.4
[M+CH3COO]- 312.06442 190.2
[M+Na-2H]- 274.02524 156.4
[M]+ 253.05002 159.0
[M]- 253.05112 159.0
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.