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 148.3
[M+Na]+ 273.98380 161.6
[M-H]- 249.98730 153.7
[M+NH4]+ 269.02840 170.4
[M+K]+ 289.95774 149.5
[M+H-H2O]+ 233.99184 148.7
[M+HCOO]- 295.99278 168.6
[M+CH3COO]- 310.00843 188.9
[M+Na-2H]- 271.96925 154.8
[M]+ 250.99403 168.0
[M]- 250.99513 168.0
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