CID 78805

5129-00-0

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

806
Patents

258.0892 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.096476 156.8
[M+Na]+ 281.078418 163.4
[M-H]- 257.081924 161.2
[M+NH4]+ 276.123023 172.0
[M+K]+ 297.052358 160.5
[M+H-H2O]+ 241.086460 149.8
[M+HCOO]- 303.087401 176.9
[M+CH3COO]- 317.103051 190.9
[M+Na-2H]- 279.063866 159.6
[M]+ 258.08865142 157.0
[M]- 258.08974858 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