CID 367027

Nsc636354

Structural Information

Molecular Formula
C17H11NO3
SMILES
COC(=O)C(=C1C2=CC=CC=C2OC3=CC=CC=C31)C#N
InChI
InChI=1S/C17H11NO3/c1-20-17(19)13(10-18)16-11-6-2-4-8-14(11)21-15-9-5-3-7-12(15)16/h2-9H,1H3
InChIKey
CFXNTQRVJXOTCW-UHFFFAOYSA-N
Compound name
methyl 2-cyano-2-xanthen-9-ylideneacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

277.07388 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.08116 166.4
[M+Na]+ 300.06310 177.0
[M-H]- 276.06660 170.9
[M+NH4]+ 295.10770 181.2
[M+K]+ 316.03704 170.7
[M+H-H2O]+ 260.07114 152.9
[M+HCOO]- 322.07208 181.3
[M+CH3COO]- 336.08773 176.5
[M+Na-2H]- 298.04855 171.6
[M]+ 277.07333 162.5
[M]- 277.07443 162.5
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

patents stripe