CID 2795374

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

Structural Information

Molecular Formula
C9H6ClNO
SMILES
C1=CC2=C(C=C1Cl)C(=CN2)C=O
InChI
InChI=1S/C9H6ClNO/c10-7-1-2-9-8(3-7)6(5-12)4-11-9/h1-5,11H
InChIKey
YXEXOIGXNYITQH-UHFFFAOYSA-N
Compound name
5-chloro-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

479
Patents

179.0138 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.02108 132.4
[M+Na]+ 202.00302 144.9
[M-H]- 178.00652 135.2
[M+NH4]+ 197.04762 154.8
[M+K]+ 217.97696 139.1
[M+H-H2O]+ 162.01106 127.6
[M+HCOO]- 224.01200 152.1
[M+CH3COO]- 238.02765 147.2
[M+Na-2H]- 199.98847 139.9
[M]+ 179.01325 135.4
[M]- 179.01435 135.4
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