CID 11345666

2,5,6-trichloro-1h-indole-3-carbaldehyde

Structural Information

Molecular Formula
C9H4Cl3NO
SMILES
C1=C2C(=CC(=C1Cl)Cl)NC(=C2C=O)Cl
InChI
InChI=1S/C9H4Cl3NO/c10-6-1-4-5(3-14)9(12)13-8(4)2-7(6)11/h1-3,13H
InChIKey
JHNMIGWYZMQLOQ-UHFFFAOYSA-N
Compound name
2,5,6-trichloro-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

246.93585 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.94313 146.0
[M+Na]+ 269.92507 160.0
[M-H]- 245.92857 147.2
[M+NH4]+ 264.96967 166.1
[M+K]+ 285.89901 152.4
[M+H-H2O]+ 229.93311 142.4
[M+HCOO]- 291.93405 154.6
[M+CH3COO]- 305.94970 159.0
[M+Na-2H]- 267.91052 149.8
[M]+ 246.93530 150.5
[M]- 246.93640 150.5
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