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 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

No literature data available for this compound.

Patent stripe

patents stripe