CID 64083275

6-chloro-2-oxoindoline-5-carbaldehyde

Structural Information

Molecular Formula
C9H6ClNO2
SMILES
C1C2=CC(=C(C=C2NC1=O)Cl)C=O
InChI
InChI=1S/C9H6ClNO2/c10-7-3-8-5(1-6(7)4-12)2-9(13)11-8/h1,3-4H,2H2,(H,11,13)
InChIKey
WWGMATOLLWLRBJ-UHFFFAOYSA-N
Compound name
6-chloro-2-oxo-1,3-dihydroindole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.00871 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.01599 137.1
[M+Na]+ 217.99793 148.6
[M-H]- 194.00143 139.6
[M+NH4]+ 213.04253 158.7
[M+K]+ 233.97187 143.2
[M+H-H2O]+ 178.00597 132.5
[M+HCOO]- 240.00691 154.3
[M+CH3COO]- 254.02256 178.7
[M+Na-2H]- 215.98338 141.9
[M]+ 195.00816 138.3
[M]- 195.00926 138.3
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

No patent data available for this compound.