CID 74856

2035-72-5

Structural Information

Molecular Formula
C17H14O4
SMILES
CC(=C)C(=O)OC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C17H14O4/c1-11(2)17(20)21-13-8-9-14(15(18)10-13)16(19)12-6-4-3-5-7-12/h3-10,18H,1H2,2H3
InChIKey
IMNBHNRXUAJVQE-UHFFFAOYSA-N
Compound name
(4-benzoyl-3-hydroxyphenyl) 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2385
Patents

282.0892 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09648 162.6
[M+Na]+ 305.07842 169.1
[M-H]- 281.08192 168.1
[M+NH4]+ 300.12302 177.2
[M+K]+ 321.05236 165.9
[M+H-H2O]+ 265.08646 155.2
[M+HCOO]- 327.08740 182.9
[M+CH3COO]- 341.10305 198.6
[M+Na-2H]- 303.06387 163.7
[M]+ 282.08865 163.4
[M]- 282.08975 163.4
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

No patent data available for this compound.