CID 12183034

82084-03-5

Structural Information

Molecular Formula
C18H10N2
SMILES
C1=CC=C(C=C1)C2=C(C(=CC3=CC=CC=C32)C#N)C#N
InChI
InChI=1S/C18H10N2/c19-11-15-10-14-8-4-5-9-16(14)18(17(15)12-20)13-6-2-1-3-7-13/h1-10H
InChIKey
GRRLWGLFGVVYIP-UHFFFAOYSA-N
Compound name
1-phenylnaphthalene-2,3-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

254.0844 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09168 175.0
[M+Na]+ 277.07362 187.2
[M-H]- 253.07712 179.7
[M+NH4]+ 272.11822 186.6
[M+K]+ 293.04756 177.1
[M+H-H2O]+ 237.08166 159.0
[M+HCOO]- 299.08260 186.8
[M+CH3COO]- 313.09825 181.8
[M+Na-2H]- 275.05907 177.1
[M]+ 254.08385 166.5
[M]- 254.08495 166.5
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