CID 23289

6851-69-0

Structural Information

Molecular Formula
C12H13BrN2O
SMILES
CN(C)C1=CC2=C(C=C1)NC=C2C(=O)CBr
InChI
InChI=1S/C12H13BrN2O/c1-15(2)8-3-4-11-9(5-8)10(7-14-11)12(16)6-13/h3-5,7,14H,6H2,1-2H3
InChIKey
OOYNNWHPLINKIW-UHFFFAOYSA-N
Compound name
2-bromo-1-[5-(dimethylamino)-1H-indol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.02112 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.02840 155.9
[M+Na]+ 303.01034 158.5
[M+NH4]+ 298.05494 160.3
[M+K]+ 318.98428 160.0
[M-H]- 279.01384 156.2
[M+Na-2H]- 300.99579 158.2
[M]+ 280.02057 155.0
[M]- 280.02167 155.0
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

No patent data available for this compound.