CID 20478

4425-97-2

Structural Information

Molecular Formula
C19H16N2
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C2(CCC#N)CCC#N
InChI
InChI=1S/C19H16N2/c20-13-5-11-19(12-6-14-21)17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10H,5-6,11-12H2
InChIKey
COWHDUMHYFLLER-UHFFFAOYSA-N
Compound name
3-[9-(2-cyanoethyl)fluoren-9-yl]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

272.13135 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.13863 179.0
[M+Na]+ 295.12057 191.9
[M-H]- 271.12407 182.9
[M+NH4]+ 290.16517 193.7
[M+K]+ 311.09451 179.6
[M+H-H2O]+ 255.12861 163.7
[M+HCOO]- 317.12955 190.5
[M+CH3COO]- 331.14520 185.9
[M+Na-2H]- 293.10602 180.8
[M]+ 272.13080 172.4
[M]- 272.13190 172.4
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