CID 43457499

6-chloro-2-oxoindoline-5-carboxylic acid

Structural Information

Molecular Formula
C9H6ClNO3
SMILES
C1C2=CC(=C(C=C2NC1=O)Cl)C(=O)O
InChI
InChI=1S/C9H6ClNO3/c10-6-3-7-4(2-8(12)11-7)1-5(6)9(13)14/h1,3H,2H2,(H,11,12)(H,13,14)
InChIKey
GALGGHJFGWMWCN-UHFFFAOYSA-N
Compound name
6-chloro-2-oxo-1,3-dihydroindole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

211.00362 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.01090 139.7
[M+Na]+ 233.99284 151.6
[M+NH4]+ 229.03744 147.2
[M+K]+ 249.96678 148.3
[M-H]- 209.99634 139.2
[M+Na-2H]- 231.97829 143.0
[M]+ 211.00307 141.2
[M]- 211.00417 141.2
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