CID 16099889

Ethyl 2-(6-bromo-1h-indol-3-yl)acetate

Structural Information

Molecular Formula
C12H12BrNO2
SMILES
CCOC(=O)CC1=CNC2=C1C=CC(=C2)Br
InChI
InChI=1S/C12H12BrNO2/c1-2-16-12(15)5-8-7-14-11-6-9(13)3-4-10(8)11/h3-4,6-7,14H,2,5H2,1H3
InChIKey
DBEHTVLBNORKMZ-UHFFFAOYSA-N
Compound name
ethyl 2-(6-bromo-1H-indol-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

281.00513 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.01241 155.9
[M+Na]+ 303.99435 168.7
[M-H]- 279.99785 161.1
[M+NH4]+ 299.03895 176.8
[M+K]+ 319.96829 156.8
[M+H-H2O]+ 264.00239 155.8
[M+HCOO]- 326.00333 176.0
[M+CH3COO]- 340.01898 192.9
[M+Na-2H]- 301.97980 161.8
[M]+ 281.00458 177.1
[M]- 281.00568 177.1
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