CID 2736734

1-cyano-4-fluoronaphthalene

Structural Information

Molecular Formula
C11H6FN
SMILES
C1=CC=C2C(=C1)C(=CC=C2F)C#N
InChI
InChI=1S/C11H6FN/c12-11-6-5-8(7-13)9-3-1-2-4-10(9)11/h1-6H
InChIKey
XQSGYYNFKIQWAC-UHFFFAOYSA-N
Compound name
4-fluoronaphthalene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

171.04843 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05571 134.5
[M+Na]+ 194.03765 146.9
[M-H]- 170.04115 137.6
[M+NH4]+ 189.08225 154.1
[M+K]+ 210.01159 140.8
[M+H-H2O]+ 154.04569 121.8
[M+HCOO]- 216.04663 153.8
[M+CH3COO]- 230.06228 147.2
[M+Na-2H]- 192.02310 142.2
[M]+ 171.04788 128.5
[M]- 171.04898 128.5
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