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

26
Patents

236.97893 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.98621 141.5
[M+Na]+ 259.96815 156.9
[M-H]- 235.97165 148.6
[M+NH4]+ 255.01275 165.2
[M+K]+ 275.94209 145.4
[M+H-H2O]+ 219.97619 142.0
[M+HCOO]- 281.97713 164.5
[M+CH3COO]- 295.99278 188.8
[M+Na-2H]- 257.95360 149.5
[M]+ 236.97838 163.6
[M]- 236.97948 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