CID 21040781

4-bromo-1-ethyl-1h-indole

Structural Information

Molecular Formula
C10H10BrN
SMILES
CCN1C=CC2=C1C=CC=C2Br
InChI
InChI=1S/C10H10BrN/c1-2-12-7-6-8-9(11)4-3-5-10(8)12/h3-7H,2H2,1H3
InChIKey
ZAYNZVWIRUKCAA-UHFFFAOYSA-N
Compound name
4-bromo-1-ethylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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 140.5
[M+Na]+ 245.98888 154.9
[M-H]- 221.99238 147.3
[M+NH4]+ 241.03348 164.6
[M+K]+ 261.96282 143.6
[M+H-H2O]+ 205.99692 141.0
[M+HCOO]- 267.99786 163.2
[M+CH3COO]- 282.01351 157.0
[M+Na-2H]- 243.97433 149.2
[M]+ 222.99911 161.6
[M]- 223.00021 161.6
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