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
2
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]+ 251.10666 155.2
[M+Na]+ 273.08860 163.5
[M-H]- 249.09210 163.5
[M+NH4]+ 268.13320 172.2
[M+K]+ 289.06254 159.6
[M+H-H2O]+ 233.09664 147.6
[M+HCOO]- 295.09758 175.5
[M+CH3COO]- 309.11323 167.9
[M+Na-2H]- 271.07405 161.5
[M]+ 250.09883 154.3
[M]- 250.09993 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.