CID 854570

3-chloro-5,7-diethoxy-4-methyl-2h-chromen-2-one

Structural Information

Molecular Formula
C14H15ClO4
SMILES
CCOC1=CC2=C(C(=C(C(=O)O2)Cl)C)C(=C1)OCC
InChI
InChI=1S/C14H15ClO4/c1-4-17-9-6-10(18-5-2)12-8(3)13(15)14(16)19-11(12)7-9/h6-7H,4-5H2,1-3H3
InChIKey
HRCUARXSCUOGHV-UHFFFAOYSA-N
Compound name
3-chloro-5,7-diethoxy-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0659 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.07318 158.0
[M+Na]+ 305.05512 170.2
[M-H]- 281.05862 164.4
[M+NH4]+ 300.09972 175.8
[M+K]+ 321.02906 167.5
[M+H-H2O]+ 265.06316 152.6
[M+HCOO]- 327.06410 176.3
[M+CH3COO]- 341.07975 201.0
[M+Na-2H]- 303.04057 163.8
[M]+ 282.06535 168.3
[M]- 282.06645 168.3
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.