CID 3068340

6-cyano-6h-dibenzo(b,d)pyran

Structural Information

Molecular Formula
C14H9NO
SMILES
C1=CC=C2C(=C1)C(OC3=CC=CC=C23)C#N
InChI
InChI=1S/C14H9NO/c15-9-14-12-7-2-1-5-10(12)11-6-3-4-8-13(11)16-14/h1-8,14H
InChIKey
WQHAZYSCIDMBTQ-UHFFFAOYSA-N
Compound name
6H-benzo[c]chromene-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

207.06842 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07570 145.6
[M+Na]+ 230.05764 157.8
[M-H]- 206.06114 150.6
[M+NH4]+ 225.10224 163.5
[M+K]+ 246.03158 151.0
[M+H-H2O]+ 190.06568 132.9
[M+HCOO]- 252.06662 162.8
[M+CH3COO]- 266.08227 157.7
[M+Na-2H]- 228.04309 154.8
[M]+ 207.06787 141.0
[M]- 207.06897 141.0
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