CID 24701659

2-bromo-1-(2,3-dihydro-1h-indol-1-yl)-3-methylbutan-1-one

Structural Information

Molecular Formula
C13H16BrNO
SMILES
CC(C)C(C(=O)N1CCC2=CC=CC=C21)Br
InChI
InChI=1S/C13H16BrNO/c1-9(2)12(14)13(16)15-8-7-10-5-3-4-6-11(10)15/h3-6,9,12H,7-8H2,1-2H3
InChIKey
FJROJZJTUGYSJT-UHFFFAOYSA-N
Compound name
2-bromo-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.04153 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.048806 162.1
[M+Na]+ 304.030748 171.8
[M-H]- 280.034254 167.6
[M+NH4]+ 299.075353 183.1
[M+K]+ 320.004688 161.2
[M+H-H2O]+ 264.038790 161.9
[M+HCOO]- 326.039731 178.5
[M+CH3COO]- 340.055381 197.4
[M+Na-2H]- 302.016196 164.3
[M]+ 281.04098142 179.8
[M]- 281.04207858 179.8
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

No patent data available for this compound.