CID 643958

7-chloro-1h-indole-3-carbaldehyde

Structural Information

Molecular Formula
C9H6ClNO
SMILES
C1=CC2=C(C(=C1)Cl)NC=C2C=O
InChI
InChI=1S/C9H6ClNO/c10-8-3-1-2-7-6(5-12)4-11-9(7)8/h1-5,11H
InChIKey
NHJNOJSRXQVQRT-UHFFFAOYSA-N
Compound name
7-chloro-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

136
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

literature stripe

Patent stripe

patents stripe