CID 3484627

3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoic acid

Structural Information

Molecular Formula
C16H13ClO3
SMILES
C1=CC=C(C(=C1)COC2=CC=C(C=C2)C=CC(=O)O)Cl
InChI
InChI=1S/C16H13ClO3/c17-15-4-2-1-3-13(15)11-20-14-8-5-12(6-9-14)7-10-16(18)19/h1-10H,11H2,(H,18,19)
InChIKey
GAPYHVXKEHLZQP-UHFFFAOYSA-N
Compound name
3-[4-[(2-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 162.7
[M+Na]+ 311.04455 171.0
[M-H]- 287.04805 168.1
[M+NH4]+ 306.08915 178.4
[M+K]+ 327.01849 164.9
[M+H-H2O]+ 271.05259 156.2
[M+HCOO]- 333.05353 180.5
[M+CH3COO]- 347.06918 196.2
[M+Na-2H]- 309.03000 166.2
[M]+ 288.05478 165.9
[M]- 288.05588 165.9
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.