CID 4049156

50670-76-3

Structural Information

Molecular Formula
C15H14O3
SMILES
CCOC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)O
InChI
InChI=1S/C15H14O3/c1-2-18-15(17)13-5-3-11(4-6-13)12-7-9-14(16)10-8-12/h3-10,16H,2H2,1H3
InChIKey
FYXQIMAAEMCZLV-UHFFFAOYSA-N
Compound name
ethyl 4-(4-hydroxyphenyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

317
Patents

242.0943 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 154.3
[M+Na]+ 265.08352 168.6
[M+NH4]+ 260.12812 162.4
[M+K]+ 281.05746 161.6
[M-H]- 241.08702 158.1
[M+Na-2H]- 263.06897 162.9
[M]+ 242.09375 157.4
[M]- 242.09485 157.4
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

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