CID 30951

Alclofenac

Structural Information

Molecular Formula
C11H11ClO3
SMILES
C=CCOC1=C(C=C(C=C1)CC(=O)O)Cl
InChI
InChI=1S/C11H11ClO3/c1-2-5-15-10-4-3-8(6-9(10)12)7-11(13)14/h2-4,6H,1,5,7H2,(H,13,14)
InChIKey
ARHWPKZXBHOEEE-UHFFFAOYSA-N
Compound name
2-(3-chloro-4-prop-2-enoxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

23
References

20556
Patents

226.03967 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.04695 145.9
[M+Na]+ 249.02889 158.9
[M+NH4]+ 244.07349 153.4
[M+K]+ 265.00283 152.4
[M-H]- 225.03239 146.7
[M+Na-2H]- 247.01434 151.4
[M]+ 226.03912 148.1
[M]- 226.04022 148.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe