CID 50998800

2-ethynyl-4-fluorobenzonitrile

Structural Information

Molecular Formula
C9H4FN
SMILES
C#CC1=C(C=CC(=C1)F)C#N
InChI
InChI=1S/C9H4FN/c1-2-7-5-9(10)4-3-8(7)6-11/h1,3-5H
InChIKey
OLSQRJLNDYLNHL-UHFFFAOYSA-N
Compound name
2-ethynyl-4-fluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.03278 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.04006 140.1
[M+Na]+ 168.02200 151.6
[M-H]- 144.02550 142.6
[M+NH4]+ 163.06660 154.4
[M+K]+ 183.99594 147.1
[M+H-H2O]+ 128.03004 125.7
[M+HCOO]- 190.03098 151.6
[M+CH3COO]- 204.04663 207.8
[M+Na-2H]- 166.00745 143.0
[M]+ 145.03223 131.1
[M]- 145.03333 131.1
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.