CID 82437

Bisphenol a diacetate

Structural Information

Molecular Formula
C19H20O4
SMILES
CC(=O)OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC(=O)C
InChI
InChI=1S/C19H20O4/c1-13(20)22-17-9-5-15(6-10-17)19(3,4)16-7-11-18(12-8-16)23-14(2)21/h5-12H,1-4H3
InChIKey
NSNHONPMCQYMNT-UHFFFAOYSA-N
Compound name
[4-[2-(4-acetyloxyphenyl)propan-2-yl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

254
Patents

312.13617 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14345 172.3
[M+Na]+ 335.12539 178.9
[M-H]- 311.12889 179.1
[M+NH4]+ 330.16999 186.8
[M+K]+ 351.09933 176.7
[M+H-H2O]+ 295.13343 164.7
[M+HCOO]- 357.13437 192.7
[M+CH3COO]- 371.15002 206.6
[M+Na-2H]- 333.11084 175.0
[M]+ 312.13562 176.4
[M]- 312.13672 176.4
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