CID 64928

Clofop

Structural Information

Molecular Formula
C15H13ClO4
SMILES
CC(C(=O)O)OC1=CC=C(C=C1)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H13ClO4/c1-10(15(17)18)19-12-6-8-14(9-7-12)20-13-4-2-11(16)3-5-13/h2-10H,1H3,(H,17,18)
InChIKey
BSFAVVHPEZCASB-UHFFFAOYSA-N
Compound name
2-[4-(4-chlorophenoxy)phenoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

241
References

5826
Patents

292.05023 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.05751 161.2
[M+Na]+ 315.03945 169.0
[M-H]- 291.04295 166.8
[M+NH4]+ 310.08405 176.6
[M+K]+ 331.01339 165.1
[M+H-H2O]+ 275.04749 154.7
[M+HCOO]- 337.04843 178.3
[M+CH3COO]- 351.06408 197.6
[M+Na-2H]- 313.02490 164.2
[M]+ 292.04968 165.7
[M]- 292.05078 165.7
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