CID 64906679

1-(2-chlorophenyl)-3-oxocyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C11H9ClO3
SMILES
C1C(=O)CC1(C2=CC=CC=C2Cl)C(=O)O
InChI
InChI=1S/C11H9ClO3/c12-9-4-2-1-3-8(9)11(10(14)15)5-7(13)6-11/h1-4H,5-6H2,(H,14,15)
InChIKey
CLEHBHSOEOOJBV-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-3-oxocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.02402 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.03130 141.7
[M+Na]+ 247.01324 150.5
[M+NH4]+ 242.05784 147.3
[M+K]+ 262.98718 144.8
[M-H]- 223.01674 141.3
[M+Na-2H]- 244.99869 147.5
[M]+ 224.02347 142.0
[M]- 224.02457 142.0
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

No patent data available for this compound.