CID 4049156

Ethyl 4'-hydroxy-4-biphenylcarboxylate

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

255
Patents

242.0943 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.101576 153.4
[M+Na]+ 265.083518 160.9
[M-H]- 241.087024 159.1
[M+NH4]+ 260.128123 170.1
[M+K]+ 281.057458 157.6
[M+H-H2O]+ 225.091560 146.2
[M+HCOO]- 287.092501 175.8
[M+CH3COO]- 301.108151 190.2
[M+Na-2H]- 263.068966 157.8
[M]+ 242.09375142 154.6
[M]- 242.09484858 154.6
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