CID 91647701

1017277-41-6

Structural Information

Molecular Formula
C11H11ClO3
SMILES
C1CO[C@H]([C@@H]1C(=O)O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H11ClO3/c12-8-3-1-7(2-4-8)10-9(11(13)14)5-6-15-10/h1-4,9-10H,5-6H2,(H,13,14)/t9-,10+/m1/s1
InChIKey
UGUJBBPWDUGJLX-ZJUUUORDSA-N
Compound name
(2R,3R)-2-(4-chlorophenyl)oxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

226.03967 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.04695 147.0
[M+Na]+ 249.02889 155.0
[M-H]- 225.03239 153.1
[M+NH4]+ 244.07349 165.7
[M+K]+ 265.00283 152.0
[M+H-H2O]+ 209.03693 142.1
[M+HCOO]- 271.03787 163.1
[M+CH3COO]- 285.05352 183.2
[M+Na-2H]- 247.01434 149.6
[M]+ 226.03912 147.6
[M]- 226.04022 147.6
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