CID 68665

Lonaprofen

Structural Information

Molecular Formula
C14H13ClO3
SMILES
CC(C(=O)OC)OC1=C(C2=CC=CC=C2C=C1)Cl
InChI
InChI=1S/C14H13ClO3/c1-9(14(16)17-2)18-12-8-7-10-5-3-4-6-11(10)13(12)15/h3-9H,1-2H3
InChIKey
QMDJJUBPSFSPCR-UHFFFAOYSA-N
Compound name
methyl 2-(1-chloronaphthalen-2-yl)oxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

264.05533 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.06261 154.8
[M+Na]+ 287.04455 163.9
[M-H]- 263.04805 159.6
[M+NH4]+ 282.08915 173.7
[M+K]+ 303.01849 160.3
[M+H-H2O]+ 247.05259 149.4
[M+HCOO]- 309.05353 172.0
[M+CH3COO]- 323.06918 196.1
[M+Na-2H]- 285.03000 159.5
[M]+ 264.05478 160.7
[M]- 264.05588 160.7
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.