CID 43457499

1156390-49-6

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 140.1
[M+Na]+ 233.99284 150.7
[M-H]- 209.99634 141.3
[M+NH4]+ 229.03744 160.2
[M+K]+ 249.96678 145.5
[M+H-H2O]+ 194.00088 135.8
[M+HCOO]- 256.00182 155.0
[M+CH3COO]- 270.01747 179.3
[M+Na-2H]- 231.97829 143.4
[M]+ 211.00307 140.4
[M]- 211.00417 140.4
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