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

2501
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

literature stripe

Patent stripe

patents stripe