CID 500463

6-chloro-3-(4-chlorophenyl)-2h-chromene

Structural Information

Molecular Formula
C15H10Cl2O
SMILES
C1C(=CC2=C(O1)C=CC(=C2)Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H10Cl2O/c16-13-3-1-10(2-4-13)12-7-11-8-14(17)5-6-15(11)18-9-12/h1-8H,9H2
InChIKey
CQAYJFSMVNBNIW-UHFFFAOYSA-N
Compound name
6-chloro-3-(4-chlorophenyl)-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

276.01086 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.01814 157.6
[M+Na]+ 299.00008 168.4
[M-H]- 275.00358 165.2
[M+NH4]+ 294.04468 175.0
[M+K]+ 314.97402 162.5
[M+H-H2O]+ 259.00812 151.5
[M+HCOO]- 321.00906 169.5
[M+CH3COO]- 335.02471 170.4
[M+Na-2H]- 296.98553 164.4
[M]+ 276.01031 161.1
[M]- 276.01141 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

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