CID 2763178

98600-34-1

Structural Information

Molecular Formula
C9H6BrNO
SMILES
C1=CC2=C(C(=C1)Br)C(=CN2)C=O
InChI
InChI=1S/C9H6BrNO/c10-7-2-1-3-8-9(7)6(5-12)4-11-8/h1-5,11H
InChIKey
IPAFHZDRYAWZOB-UHFFFAOYSA-N
Compound name
4-bromo-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

199
Patents

222.96329 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.97057 141.1
[M+Na]+ 245.95251 145.6
[M+NH4]+ 240.99711 146.3
[M+K]+ 261.92645 146.1
[M-H]- 221.95601 141.2
[M+Na-2H]- 243.93796 144.5
[M]+ 222.96274 140.5
[M]- 222.96384 140.5
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