CID 778451

5-bromo-1-methyl-1h-indole-3-carbaldehyde

Structural Information

Molecular Formula
C10H8BrNO
SMILES
CN1C=C(C2=C1C=CC(=C2)Br)C=O
InChI
InChI=1S/C10H8BrNO/c1-12-5-7(6-13)9-4-8(11)2-3-10(9)12/h2-6H,1H3
InChIKey
NZJJLQUTQOICBN-UHFFFAOYSA-N
Compound name
5-bromo-1-methylindole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

236.97893 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.986206 141.5
[M+Na]+ 259.968148 156.9
[M-H]- 235.971654 148.6
[M+NH4]+ 255.012753 165.2
[M+K]+ 275.942088 145.4
[M+H-H2O]+ 219.976190 142.0
[M+HCOO]- 281.977131 164.5
[M+CH3COO]- 295.992781 188.8
[M+Na-2H]- 257.953596 149.5
[M]+ 236.97838142 163.6
[M]- 236.97947858 163.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe