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

16
Patents

211.00362 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.010896 140.1
[M+Na]+ 233.992838 150.7
[M-H]- 209.996344 141.3
[M+NH4]+ 229.037443 160.2
[M+K]+ 249.966778 145.5
[M+H-H2O]+ 194.000880 135.8
[M+HCOO]- 256.001821 155.0
[M+CH3COO]- 270.017471 179.3
[M+Na-2H]- 231.978286 143.4
[M]+ 211.00307142 140.4
[M]- 211.00416858 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