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

11
Patents

212.97482 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.98210 139.1
[M+Na]+ 235.96404 152.6
[M-H]- 211.96754 141.3
[M+NH4]+ 231.00864 160.6
[M+K]+ 251.93798 145.6
[M+H-H2O]+ 195.97208 134.9
[M+HCOO]- 257.97302 153.4
[M+CH3COO]- 271.98867 153.2
[M+Na-2H]- 233.94949 144.9
[M]+ 212.97427 143.4
[M]- 212.97537 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