CID 74787786

3-bromo-1h-indole-6-carbaldehyde

Structural Information

Molecular Formula
C9H6BrNO
SMILES
C1=CC2=C(C=C1C=O)NC=C2Br
InChI
InChI=1S/C9H6BrNO/c10-8-4-11-9-3-6(5-12)1-2-7(8)9/h1-5,11H
InChIKey
JUBYDSVZRYKBTH-UHFFFAOYSA-N
Compound name
3-bromo-1H-indole-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
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 138.1
[M+Na]+ 245.95251 152.7
[M-H]- 221.95601 143.8
[M+NH4]+ 240.99711 161.4
[M+K]+ 261.92645 140.5
[M+H-H2O]+ 205.96055 138.9
[M+HCOO]- 267.96149 160.1
[M+CH3COO]- 281.97714 154.3
[M+Na-2H]- 243.93796 146.9
[M]+ 222.96274 157.8
[M]- 222.96384 157.8
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