CID 854094

6-chloro-7-[(3-methyl-2-butenyl)oxy]-4-phenyl-2h-chromen-2-one

Structural Information

Molecular Formula
C20H17ClO3
SMILES
CC(=CCOC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)Cl)C
InChI
InChI=1S/C20H17ClO3/c1-13(2)8-9-23-19-12-18-16(10-17(19)21)15(11-20(22)24-18)14-6-4-3-5-7-14/h3-8,10-12H,9H2,1-2H3
InChIKey
FCCINCXMYNBVHB-UHFFFAOYSA-N
Compound name
6-chloro-7-(3-methylbut-2-enoxy)-4-phenylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.0866 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.09388 178.1
[M+Na]+ 363.07582 188.3
[M-H]- 339.07932 186.7
[M+NH4]+ 358.12042 192.5
[M+K]+ 379.04976 183.0
[M+H-H2O]+ 323.08386 170.5
[M+HCOO]- 385.08480 194.7
[M+CH3COO]- 399.10045 210.9
[M+Na-2H]- 361.06127 182.2
[M]+ 340.08605 184.7
[M]- 340.08715 184.7
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.