CID 6434030

28328-73-6

Structural Information

Molecular Formula
C18H15ClO5
SMILES
COC1=CC=CC=C1/C=C/C(=O)C2=C(C=CC(=C2)Cl)OCC(=O)O
InChI
InChI=1S/C18H15ClO5/c1-23-16-5-3-2-4-12(16)6-8-15(20)14-10-13(19)7-9-17(14)24-11-18(21)22/h2-10H,11H2,1H3,(H,21,22)/b8-6+
InChIKey
NFDFMINPBPDHEE-SOFGYWHQSA-N
Compound name
2-[4-chloro-2-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.0608 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.06808 175.1
[M+Na]+ 369.05002 183.1
[M-H]- 345.05352 180.7
[M+NH4]+ 364.09462 188.4
[M+K]+ 385.02396 178.1
[M+H-H2O]+ 329.05806 168.2
[M+HCOO]- 391.05900 191.9
[M+CH3COO]- 405.07465 207.7
[M+Na-2H]- 367.03547 176.0
[M]+ 346.06025 181.1
[M]- 346.06135 181.1
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.