CID 13184991

89671-83-0

Structural Information

Molecular Formula
C10H8BrNO
SMILES
CC(=O)C1=CC2=C(N1)C=CC(=C2)Br
InChI
InChI=1S/C10H8BrNO/c1-6(13)10-5-7-4-8(11)2-3-9(7)12-10/h2-5,12H,1H3
InChIKey
RZZULRVYGFAQGS-UHFFFAOYSA-N
Compound name
1-(5-bromo-1H-indol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

236.97893 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.98621 143.6
[M+Na]+ 259.96815 157.3
[M-H]- 235.97165 149.2
[M+NH4]+ 255.01275 166.2
[M+K]+ 275.94209 145.4
[M+H-H2O]+ 219.97619 144.1
[M+HCOO]- 281.97713 164.2
[M+CH3COO]- 295.99278 186.1
[M+Na-2H]- 257.95360 150.6
[M]+ 236.97838 163.0
[M]- 236.97948 163.0
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