CID 503327

4', 6' dichloroflavan

Structural Information

Molecular Formula
C15H12Cl2O
SMILES
C1CC2=CC=CC=C2OC1C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H12Cl2O/c16-11-6-7-12(13(17)9-11)15-8-5-10-3-1-2-4-14(10)18-15/h1-4,6-7,9,15H,5,8H2
InChIKey
URVXCMAGSWSNLS-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

278.02652 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.03380 159.0
[M+Na]+ 301.01574 168.7
[M-H]- 277.01924 166.2
[M+NH4]+ 296.06034 176.2
[M+K]+ 316.98968 163.0
[M+H-H2O]+ 261.02378 152.9
[M+HCOO]- 323.02472 169.5
[M+CH3COO]- 337.04037 171.2
[M+Na-2H]- 299.00119 164.8
[M]+ 278.02597 161.1
[M]- 278.02707 161.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.