CID 117006

71077-33-3

Structural Information

Molecular Formula
C18H20O4
SMILES
CCCCOC(=O)C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
InChI
InChI=1S/C18H20O4/c1-2-3-12-22-18(21)17(13-4-8-15(19)9-5-13)14-6-10-16(20)11-7-14/h4-11,17,19-20H,2-3,12H2,1H3
InChIKey
RFAHZZDUNWEBLG-UHFFFAOYSA-N
Compound name
butyl 2,2-bis(4-hydroxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

957
Patents

300.13617 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.143446 170.7
[M+Na]+ 323.125388 176.0
[M-H]- 299.128894 174.5
[M+NH4]+ 318.169993 184.2
[M+K]+ 339.099328 172.4
[M+H-H2O]+ 283.133430 163.1
[M+HCOO]- 345.134371 189.8
[M+CH3COO]- 359.150021 199.8
[M+Na-2H]- 321.110836 171.9
[M]+ 300.13562142 172.0
[M]- 300.13671858 172.0
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