CID 78805

Methyl bis(4-hydroxyphenyl)acetate

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1069
Patents

258.0892 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 156.8
[M+Na]+ 281.07842 163.4
[M-H]- 257.08192 161.2
[M+NH4]+ 276.12302 172.0
[M+K]+ 297.05236 160.5
[M+H-H2O]+ 241.08646 149.8
[M+HCOO]- 303.08740 176.9
[M+CH3COO]- 317.10305 190.9
[M+Na-2H]- 279.06387 159.6
[M]+ 258.08865 157.0
[M]- 258.08975 157.0
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

patents stripe