CID 21930487

13082-48-9

Structural Information

Molecular Formula
C20H18O4
SMILES
CC(=C)C(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C(=C)C
InChI
InChI=1S/C20H18O4/c1-13(2)19(21)23-17-9-5-15(6-10-17)16-7-11-18(12-8-16)24-20(22)14(3)4/h5-12H,1,3H2,2,4H3
InChIKey
HVTJQICZTQZLSK-UHFFFAOYSA-N
Compound name
[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1515
Patents

322.1205 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.127776 174.1
[M+Na]+ 345.109718 179.8
[M-H]- 321.113224 180.6
[M+NH4]+ 340.154323 187.7
[M+K]+ 361.083658 176.8
[M+H-H2O]+ 305.117760 166.2
[M+HCOO]- 367.118701 194.1
[M+CH3COO]- 381.134351 209.4
[M+Na-2H]- 343.095166 173.0
[M]+ 322.11995142 176.4
[M]- 322.12104858 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

No literature data available for this compound.

Patent stripe

patents stripe