CID 62740618

3-[(3-chlorophenyl)methyl]oxolane-3-carboxylic acid

Structural Information

Molecular Formula
C12H13ClO3
SMILES
C1COCC1(CC2=CC(=CC=C2)Cl)C(=O)O
InChI
InChI=1S/C12H13ClO3/c13-10-3-1-2-9(6-10)7-12(11(14)15)4-5-16-8-12/h1-3,6H,4-5,7-8H2,(H,14,15)
InChIKey
PRLQSBHXPDYLQU-UHFFFAOYSA-N
Compound name
3-[(3-chlorophenyl)methyl]oxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.05533 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.06261 150.2
[M+Na]+ 263.04455 162.1
[M+NH4]+ 258.08915 159.9
[M+K]+ 279.01849 156.1
[M-H]- 239.04805 153.9
[M+Na-2H]- 261.03000 157.3
[M]+ 240.05478 153.3
[M]- 240.05588 153.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.