CID 386368

Nsc678252

Structural Information

Molecular Formula
C16H11ClO4
SMILES
COC1=CC2=C(C=C1)C=C(C(=O)O2)OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H11ClO4/c1-19-13-5-2-10-8-15(16(18)21-14(10)9-13)20-12-6-3-11(17)4-7-12/h2-9H,1H3
InChIKey
JJQBRFWMQZJBTL-UHFFFAOYSA-N
Compound name
3-(4-chlorophenoxy)-7-methoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.03458 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.04186 163.0
[M+Na]+ 325.02380 174.8
[M-H]- 301.02730 172.3
[M+NH4]+ 320.06840 179.1
[M+K]+ 340.99774 171.2
[M+H-H2O]+ 285.03184 155.8
[M+HCOO]- 347.03278 182.0
[M+CH3COO]- 361.04843 176.7
[M+Na-2H]- 323.00925 170.6
[M]+ 302.03403 171.1
[M]- 302.03513 171.1
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.