CID 54689762

6-chloro-4-hydroxy-7-methyl-3-[(e)-3-phenylprop-2-enoyl]chromen-2-one

Structural Information

Molecular Formula
C19H13ClO4
SMILES
CC1=CC2=C(C=C1Cl)C(=C(C(=O)O2)C(=O)/C=C/C3=CC=CC=C3)O
InChI
InChI=1S/C19H13ClO4/c1-11-9-16-13(10-14(11)20)18(22)17(19(23)24-16)15(21)8-7-12-5-3-2-4-6-12/h2-10,22H,1H3/b8-7+
InChIKey
XHWKXKVHAMOMHP-BQYQJAHWSA-N
Compound name
6-chloro-4-hydroxy-7-methyl-3-[(E)-3-phenylprop-2-enoyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.05023 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.05751 175.0
[M+Na]+ 363.03945 186.2
[M-H]- 339.04295 182.9
[M+NH4]+ 358.08405 188.9
[M+K]+ 379.01339 180.6
[M+H-H2O]+ 323.04749 168.1
[M+HCOO]- 385.04843 190.8
[M+CH3COO]- 399.06408 208.4
[M+Na-2H]- 361.02490 178.7
[M]+ 340.04968 180.7
[M]- 340.05078 180.7
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.