CID 914811

61926-45-2

Structural Information

Molecular Formula
C17H14O2
SMILES
CC1=CC=C(C=C1)/C=C/2\COC3=CC=CC=C3C2=O
InChI
InChI=1S/C17H14O2/c1-12-6-8-13(9-7-12)10-14-11-19-16-5-3-2-4-15(16)17(14)18/h2-10H,11H2,1H3/b14-10+
InChIKey
WBNQZJCOQHDUHB-GXDHUFHOSA-N
Compound name
(3E)-3-[(4-methylphenyl)methylidene]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

250.09938 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.106656 155.2
[M+Na]+ 273.088598 163.5
[M-H]- 249.092104 163.5
[M+NH4]+ 268.133203 172.2
[M+K]+ 289.062538 159.6
[M+H-H2O]+ 233.096640 147.6
[M+HCOO]- 295.097581 175.5
[M+CH3COO]- 309.113231 167.9
[M+Na-2H]- 271.074046 161.5
[M]+ 250.09883142 154.3
[M]- 250.09992858 154.3
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

patents stripe