CID 82409276

3-chloro-1h-indole-5-carbaldehyde

Structural Information

Molecular Formula
C9H6ClNO
SMILES
C1=CC2=C(C=C1C=O)C(=CN2)Cl
InChI
InChI=1S/C9H6ClNO/c10-8-4-11-9-2-1-6(5-12)3-7(8)9/h1-5,11H
InChIKey
VHVCRLVEBSGUEZ-UHFFFAOYSA-N
Compound name
3-chloro-1H-indole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

179.0138 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.02108 131.9
[M+Na]+ 202.00302 147.2
[M+NH4]+ 197.04762 141.4
[M+K]+ 217.97696 141.1
[M-H]- 178.00652 133.7
[M+Na-2H]- 199.98847 139.2
[M]+ 179.01325 134.9
[M]- 179.01435 134.9
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