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

1569
Patents

322.1205 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12778 174.1
[M+Na]+ 345.10972 179.8
[M-H]- 321.11322 180.6
[M+NH4]+ 340.15432 187.7
[M+K]+ 361.08366 176.8
[M+H-H2O]+ 305.11776 166.2
[M+HCOO]- 367.11870 194.1
[M+CH3COO]- 381.13435 209.4
[M+Na-2H]- 343.09517 173.0
[M]+ 322.11995 176.4
[M]- 322.12105 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