CID 12230069

2-bromo-1-(2-methyl-1h-indol-3-yl)ethan-1-one

Structural Information

Molecular Formula
C11H10BrNO
SMILES
CC1=C(C2=CC=CC=C2N1)C(=O)CBr
InChI
InChI=1S/C11H10BrNO/c1-7-11(10(14)6-12)8-4-2-3-5-9(8)13-7/h2-5,13H,6H2,1H3
InChIKey
IRPYVISZFBCCTK-UHFFFAOYSA-N
Compound name
2-bromo-1-(2-methyl-1H-indol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

250.99458 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.00186 148.9
[M+Na]+ 273.98380 152.7
[M+NH4]+ 269.02840 153.7
[M+K]+ 289.95774 153.6
[M-H]- 249.98730 148.8
[M+Na-2H]- 271.96925 151.5
[M]+ 250.99403 148.2
[M]- 250.99513 148.2
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