CID 4383959

5-bromo-1-ethyl-1h-indole

Structural Information

Molecular Formula
C10H10BrN
SMILES
CCN1C=CC2=C1C=CC(=C2)Br
InChI
InChI=1S/C10H10BrN/c1-2-12-6-5-8-7-9(11)3-4-10(8)12/h3-7H,2H2,1H3
InChIKey
LNBZVSDFWQIXHC-UHFFFAOYSA-N
Compound name
5-bromo-1-ethylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

222.99966 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.00694 142.0
[M+Na]+ 245.98888 147.2
[M+NH4]+ 241.03348 148.2
[M+K]+ 261.96282 147.0
[M-H]- 221.99238 143.3
[M+Na-2H]- 243.97433 146.3
[M]+ 222.99911 142.1
[M]- 223.00021 142.1
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