CID 83681543

3-bromo-1h-indole-7-carbaldehyde

Structural Information

Molecular Formula
C9H6BrNO
SMILES
C1=CC(=C2C(=C1)C(=CN2)Br)C=O
InChI
InChI=1S/C9H6BrNO/c10-8-4-11-9-6(5-12)2-1-3-7(8)9/h1-5,11H
InChIKey
KZTFRRXBRMCZKW-UHFFFAOYSA-N
Compound name
3-bromo-1H-indole-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.96329 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.970566 138.1
[M+Na]+ 245.952508 152.7
[M-H]- 221.956014 143.8
[M+NH4]+ 240.997113 161.4
[M+K]+ 261.926448 140.5
[M+H-H2O]+ 205.960550 138.9
[M+HCOO]- 267.961491 160.1
[M+CH3COO]- 281.977141 154.3
[M+Na-2H]- 243.937956 146.9
[M]+ 222.96274142 157.8
[M]- 222.96383858 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

No patent data available for this compound.