CID 14517

4-fluorobenzonitrile

Structural Information

Molecular Formula
C7H4FN
SMILES
C1=CC(=CC=C1C#N)F
InChI
InChI=1S/C7H4FN/c8-7-3-1-6(5-9)2-4-7/h1-4H
InChIKey
AEKVBBNGWBBYLL-UHFFFAOYSA-N
Compound name
4-fluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

9962
Patents

121.032776 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.04005 119.4
[M+Na]+ 144.02199 130.6
[M-H]- 120.02550 122.0
[M+NH4]+ 139.06660 139.8
[M+K]+ 159.99593 127.7
[M+H-H2O]+ 104.03004 107.2
[M+HCOO]- 166.03098 140.1
[M+CH3COO]- 180.04663 183.8
[M+Na-2H]- 142.00744 127.1
[M]+ 121.03223 113.0
[M]- 121.03332 113.0
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.