CID 371310

Nsc645384

Structural Information

Molecular Formula
C16H12Cl2O4
SMILES
CC1=C(C(=O)OC2=C(C3=C(C=C12)C(=O)C(=CO3)CCl)C)CCl
InChI
InChI=1S/C16H12Cl2O4/c1-7-10-3-11-13(19)9(4-17)6-21-14(11)8(2)15(10)22-16(20)12(7)5-18/h3,6H,4-5H2,1-2H3
InChIKey
SVYPQUMTTHYNPL-UHFFFAOYSA-N
Compound name
3,7-bis(chloromethyl)-4,10-dimethylpyrano[3,2-g]chromene-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.01126 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.01854 170.0
[M+Na]+ 361.00048 186.0
[M-H]- 337.00398 178.1
[M+NH4]+ 356.04508 186.0
[M+K]+ 376.97442 181.9
[M+H-H2O]+ 321.00852 164.8
[M+HCOO]- 383.00946 182.6
[M+CH3COO]- 397.02511 184.0
[M+Na-2H]- 358.98593 176.7
[M]+ 338.01071 183.0
[M]- 338.01181 183.0
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.