CID 76924

3-(2-bromoethyl)-1h-indole

Structural Information

Molecular Formula
C10H10BrN
SMILES
C1=CC=C2C(=C1)C(=CN2)CCBr
InChI
InChI=1S/C10H10BrN/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2
InChIKey
NTLAICDKHHQUGC-UHFFFAOYSA-N
Compound name
3-(2-bromoethyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

1016
Patents

222.99966 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.006936 141.6
[M+Na]+ 245.988878 154.8
[M-H]- 221.992384 146.7
[M+NH4]+ 241.033483 164.8
[M+K]+ 261.962818 142.5
[M+H-H2O]+ 205.996920 142.1
[M+HCOO]- 267.997861 162.9
[M+CH3COO]- 282.013511 157.1
[M+Na-2H]- 243.974326 150.5
[M]+ 222.99911142 160.6
[M]- 223.00020858 160.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe