CID 14059143

4,6-dichloro-1h-indole-3-carbaldehyde

Structural Information

Molecular Formula
C9H5Cl2NO
SMILES
C1=C(C=C(C2=C1NC=C2C=O)Cl)Cl
InChI
InChI=1S/C9H5Cl2NO/c10-6-1-7(11)9-5(4-13)3-12-8(9)2-6/h1-4,12H
InChIKey
HAZSSFNTBOHWSZ-UHFFFAOYSA-N
Compound name
4,6-dichloro-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

212.97482 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.982096 139.1
[M+Na]+ 235.964038 152.6
[M-H]- 211.967544 141.3
[M+NH4]+ 231.008643 160.6
[M+K]+ 251.937978 145.6
[M+H-H2O]+ 195.972080 134.9
[M+HCOO]- 257.973021 153.4
[M+CH3COO]- 271.988671 153.2
[M+Na-2H]- 233.949486 144.9
[M]+ 212.97427142 143.4
[M]- 212.97536858 143.4
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