CID 623801

14003-25-9

Structural Information

Molecular Formula
C18H13NO2
SMILES
CCOC(=O)C(=C1C2=CC=CC=C2C3=CC=CC=C31)C#N
InChI
InChI=1S/C18H13NO2/c1-2-21-18(20)16(11-19)17-14-9-5-3-7-12(14)13-8-4-6-10-15(13)17/h3-10H,2H2,1H3
InChIKey
BROYGLVZDTZJAQ-UHFFFAOYSA-N
Compound name
ethyl 2-cyano-2-fluoren-9-ylideneacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

275.09464 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.10192 172.0
[M+Na]+ 298.08386 183.1
[M-H]- 274.08736 176.2
[M+NH4]+ 293.12846 189.9
[M+K]+ 314.05780 174.5
[M+H-H2O]+ 258.09190 159.1
[M+HCOO]- 320.09284 189.2
[M+CH3COO]- 334.10849 209.9
[M+Na-2H]- 296.06931 174.1
[M]+ 275.09409 168.5
[M]- 275.09519 168.5
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