CID 43427648

Ethyl 6-bromo-4-fluoro-1h-indole-2-carboxylate

Structural Information

Molecular Formula
C11H9BrFNO2
SMILES
CCOC(=O)C1=CC2=C(N1)C=C(C=C2F)Br
InChI
InChI=1S/C11H9BrFNO2/c1-2-16-11(15)10-5-7-8(13)3-6(12)4-9(7)14-10/h3-5,14H,2H2,1H3
InChIKey
CWMMDFDMQCDTAB-UHFFFAOYSA-N
Compound name
ethyl 6-bromo-4-fluoro-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

284.98007 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.98735 154.5
[M+Na]+ 307.96929 168.5
[M-H]- 283.97279 158.8
[M+NH4]+ 303.01389 175.4
[M+K]+ 323.94323 156.4
[M+H-H2O]+ 267.97733 153.8
[M+HCOO]- 329.97827 173.8
[M+CH3COO]- 343.99392 193.8
[M+Na-2H]- 305.95474 159.6
[M]+ 284.97952 174.7
[M]- 284.98062 174.7
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