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]+ 209.00000 138.3
[M+Na]+ 230.98194 150.0
[M-H]- 206.98544 142.7
[M+NH4]+ 226.02654 160.8
[M+K]+ 246.95588 145.3
[M+H-H2O]+ 190.98998 134.8
[M+HCOO]- 252.99092 157.2
[M+CH3COO]- 267.00657 181.7
[M+Na-2H]- 228.96739 142.7
[M]+ 207.99217 141.8
[M]- 207.99327 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