CID 2305452

62174-08-7

Structural Information

Molecular Formula
C16H11ClO2
SMILES
C1/C(=C\C2=CC=C(C=C2)Cl)/C(=O)C3=CC=CC=C3O1
InChI
InChI=1S/C16H11ClO2/c17-13-7-5-11(6-8-13)9-12-10-19-15-4-2-1-3-14(15)16(12)18/h1-9H,10H2/b12-9+
InChIKey
DCQYQJQFGBXYDD-FMIVXFBMSA-N
Compound name
(3E)-3-[(4-chlorophenyl)methylidene]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

270.04477 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.05205 158.2
[M+Na]+ 293.03399 167.8
[M-H]- 269.03749 166.4
[M+NH4]+ 288.07859 175.2
[M+K]+ 309.00793 162.4
[M+H-H2O]+ 253.04203 151.4
[M+HCOO]- 315.04297 174.2
[M+CH3COO]- 329.05862 170.9
[M+Na-2H]- 291.01944 164.4
[M]+ 270.04422 159.3
[M]- 270.04532 159.3
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.