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

24
Patents

284.98007 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.987346 154.5
[M+Na]+ 307.969288 168.5
[M-H]- 283.972794 158.8
[M+NH4]+ 303.013893 175.4
[M+K]+ 323.943228 156.4
[M+H-H2O]+ 267.977330 153.8
[M+HCOO]- 329.978271 173.8
[M+CH3COO]- 343.993921 193.8
[M+Na-2H]- 305.954736 159.6
[M]+ 284.97952142 174.7
[M]- 284.98061858 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