CID 259091

Ethyl 5-bromoindole-2-carboxylate

Structural Information

Molecular Formula
C11H10BrNO2
SMILES
CCOC(=O)C1=CC2=C(N1)C=CC(=C2)Br
InChI
InChI=1S/C11H10BrNO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,13H,2H2,1H3
InChIKey
LWRLKENDQISGEU-UHFFFAOYSA-N
Compound name
ethyl 5-bromo-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

660
Patents

266.9895 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.99678 151.2
[M+Na]+ 289.97872 164.4
[M-H]- 265.98222 156.6
[M+NH4]+ 285.02332 172.6
[M+K]+ 305.95266 152.8
[M+H-H2O]+ 249.98676 151.3
[M+HCOO]- 311.98770 171.6
[M+CH3COO]- 326.00335 190.2
[M+Na-2H]- 287.96417 157.7
[M]+ 266.98895 172.1
[M]- 266.99005 172.1
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