CID 67855

2-fluorobenzonitrile

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

1
References

10839
Patents

121.032776 Da
Monoisotopic Mass

1.5
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

literature stripe

Patent stripe

patents stripe