CID 3018819

79156-94-8

Structural Information

Molecular Formula
C17H14N2O
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C2(CCC#N)C(=O)N
InChI
InChI=1S/C17H14N2O/c18-11-5-10-17(16(19)20)14-8-3-1-6-12(14)13-7-2-4-9-15(13)17/h1-4,6-9H,5,10H2,(H2,19,20)
InChIKey
VHPSPZRBIFYBNI-UHFFFAOYSA-N
Compound name
9-(2-cyanoethyl)fluorene-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

262.11063 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.117906 169.5
[M+Na]+ 285.099848 181.3
[M-H]- 261.103354 173.6
[M+NH4]+ 280.144453 189.2
[M+K]+ 301.073788 171.9
[M+H-H2O]+ 245.107890 156.8
[M+HCOO]- 307.108831 187.9
[M+CH3COO]- 321.124481 180.0
[M+Na-2H]- 283.085296 173.6
[M]+ 262.11008142 164.6
[M]- 262.11117858 164.6
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