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

12
Patents

250.99458 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.001856 148.3
[M+Na]+ 273.983798 161.6
[M-H]- 249.987304 153.7
[M+NH4]+ 269.028403 170.4
[M+K]+ 289.957738 149.5
[M+H-H2O]+ 233.991840 148.7
[M+HCOO]- 295.992781 168.6
[M+CH3COO]- 310.008431 188.9
[M+Na-2H]- 271.969246 154.8
[M]+ 250.99403142 168.0
[M]- 250.99512858 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