CID 500466

3-(4-cyanophenyl)-2h-chromene-6-carbonitrile

Structural Information

Molecular Formula
C17H10N2O
SMILES
C1C(=CC2=C(O1)C=CC(=C2)C#N)C3=CC=C(C=C3)C#N
InChI
InChI=1S/C17H10N2O/c18-9-12-1-4-14(5-2-12)16-8-15-7-13(10-19)3-6-17(15)20-11-16/h1-8H,11H2
InChIKey
MTIOZVVMXYMNFM-UHFFFAOYSA-N
Compound name
3-(4-cyanophenyl)-2H-chromene-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0793 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.08658 170.6
[M+Na]+ 281.06852 182.5
[M-H]- 257.07202 175.5
[M+NH4]+ 276.11312 181.3
[M+K]+ 297.04246 174.1
[M+H-H2O]+ 241.07656 154.4
[M+HCOO]- 303.07750 181.4
[M+CH3COO]- 317.09315 177.6
[M+Na-2H]- 279.05397 173.3
[M]+ 258.07875 162.4
[M]- 258.07985 162.4
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

No patent data available for this compound.