CID 500464

3-phenyl-2h-chromene-6-carbonitrile

Structural Information

Molecular Formula
C16H11NO
SMILES
C1C(=CC2=C(O1)C=CC(=C2)C#N)C3=CC=CC=C3
InChI
InChI=1S/C16H11NO/c17-10-12-6-7-16-14(8-12)9-15(11-18-16)13-4-2-1-3-5-13/h1-9H,11H2
InChIKey
IGLUKCIYMWQPAD-UHFFFAOYSA-N
Compound name
3-phenyl-2H-chromene-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

233.08406 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.09134 154.8
[M+Na]+ 256.07328 166.1
[M-H]- 232.07678 161.2
[M+NH4]+ 251.11788 170.4
[M+K]+ 272.04722 159.2
[M+H-H2O]+ 216.08132 141.0
[M+HCOO]- 278.08226 172.7
[M+CH3COO]- 292.09791 166.2
[M+Na-2H]- 254.05873 162.1
[M]+ 233.08351 149.4
[M]- 233.08461 149.4
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