CID 362318

Nsc625954

Structural Information

Molecular Formula
C18H12Cl2O4
SMILES
CC1=CC2=C(C(=C1C)C(=O)O)OC(=CC2=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H12Cl2O4/c1-8-5-12-14(21)7-15(11-4-3-10(19)6-13(11)20)24-17(12)16(9(8)2)18(22)23/h3-7H,1-2H3,(H,22,23)
InChIKey
FQCMFLQFGWYIGL-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-6,7-dimethyl-4-oxochromene-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.01126 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.01854 175.9
[M+Na]+ 385.00048 189.2
[M-H]- 361.00398 183.9
[M+NH4]+ 380.04508 190.0
[M+K]+ 400.97442 183.7
[M+H-H2O]+ 345.00852 170.4
[M+HCOO]- 407.00946 186.8
[M+CH3COO]- 421.02511 213.6
[M+Na-2H]- 382.98593 178.2
[M]+ 362.01071 184.4
[M]- 362.01181 184.4
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.