CID 20451706

2-chloro-1-oxo-1h-indene-3-carboxylic acid

Structural Information

Molecular Formula
C10H5ClO3
SMILES
C1=CC=C2C(=C1)C(=C(C2=O)Cl)C(=O)O
InChI
InChI=1S/C10H5ClO3/c11-8-7(10(13)14)5-3-1-2-4-6(5)9(8)12/h1-4H,(H,13,14)
InChIKey
PVDUPRDEFJUIKG-UHFFFAOYSA-N
Compound name
2-chloro-3-oxoindene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

207.99272 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.999996 138.3
[M+Na]+ 230.981938 150.0
[M-H]- 206.985444 142.7
[M+NH4]+ 226.026543 160.8
[M+K]+ 246.955878 145.3
[M+H-H2O]+ 190.989980 134.8
[M+HCOO]- 252.990921 157.2
[M+CH3COO]- 267.006571 181.7
[M+Na-2H]- 228.967386 142.7
[M]+ 207.99217142 141.8
[M]- 207.99326858 141.8
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