CID 493768

2-fluoren-9-ylidene-4-methyl-oxazol-5-one

Structural Information

Molecular Formula
C17H11NO2
SMILES
CC1=NC(=C2C3=CC=CC=C3C4=CC=CC=C42)OC1=O
InChI
InChI=1S/C17H11NO2/c1-10-17(19)20-16(18-10)15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)15/h2-9H,1H3
InChIKey
WDMKVLCYRVQQKE-UHFFFAOYSA-N
Compound name
2-fluoren-9-ylidene-4-methyl-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.07898 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.08626 157.7
[M+Na]+ 284.06820 169.1
[M-H]- 260.07170 166.9
[M+NH4]+ 279.11280 177.9
[M+K]+ 300.04214 164.5
[M+H-H2O]+ 244.07624 151.5
[M+HCOO]- 306.07718 179.5
[M+CH3COO]- 320.09283 171.6
[M+Na-2H]- 282.05365 161.1
[M]+ 261.07843 159.7
[M]- 261.07953 159.7
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.