CID 656694

2,2-bis(4-hydroxyphenyl)-1-propanoate

Structural Information

Molecular Formula
C15H14O4
SMILES
CC(C1=CC=C(C=C1)O)(C2=CC=C(C=C2)O)C(=O)O
InChI
InChI=1S/C15H14O4/c1-15(14(18)19,10-2-6-12(16)7-3-10)11-4-8-13(17)9-5-11/h2-9,16-17H,1H3,(H,18,19)
InChIKey
YWXSOBSAHZIXED-UHFFFAOYSA-N
Compound name
2,2-bis(4-hydroxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

767
Patents

258.0892 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 156.7
[M+Na]+ 281.07842 163.5
[M-H]- 257.08192 159.9
[M+NH4]+ 276.12302 171.3
[M+K]+ 297.05236 159.7
[M+H-H2O]+ 241.08646 150.5
[M+HCOO]- 303.08740 174.6
[M+CH3COO]- 317.10305 188.7
[M+Na-2H]- 279.06387 161.1
[M]+ 258.08865 155.3
[M]- 258.08975 155.3
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