CID 40488819

853348-30-8

Structural Information

Molecular Formula
C16H13ClO3
SMILES
C1=CC(=CC(=C1)OCC2=CC=C(C=C2)Cl)/C=C/C(=O)O
InChI
InChI=1S/C16H13ClO3/c17-14-7-4-13(5-8-14)11-20-15-3-1-2-12(10-15)6-9-16(18)19/h1-10H,11H2,(H,18,19)/b9-6+
InChIKey
JLNHVPHAZUDEQM-RMKNXTFCSA-N
Compound name
(E)-3-[3-[(4-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.05533 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.06261 163.6
[M+Na]+ 311.04455 178.6
[M+NH4]+ 306.08915 171.5
[M+K]+ 327.01849 170.3
[M-H]- 287.04805 167.1
[M+Na-2H]- 309.03000 172.0
[M]+ 288.05478 167.1
[M]- 288.05588 167.1
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.