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 139.9
[M+Na]+ 247.01324 148.2
[M-H]- 223.01674 145.7
[M+NH4]+ 242.05784 153.9
[M+K]+ 262.98718 147.0
[M+H-H2O]+ 207.02128 131.1
[M+HCOO]- 269.02222 156.4
[M+CH3COO]- 283.03787 187.1
[M+Na-2H]- 244.99869 144.7
[M]+ 224.02347 149.8
[M]- 224.02457 149.8
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

No patent data available for this compound.