CID 2783392

2-amino-3-fluorobenzonitrile

Structural Information

Molecular Formula
C7H5FN2
SMILES
C1=CC(=C(C(=C1)F)N)C#N
InChI
InChI=1S/C7H5FN2/c8-6-3-1-2-5(4-9)7(6)10/h1-3H,10H2
InChIKey
UNISSOLHERSZOW-UHFFFAOYSA-N
Compound name
2-amino-3-fluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

258
Patents

136.04367 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.05095 128.1
[M+Na]+ 159.03289 140.0
[M+NH4]+ 154.07749 133.1
[M+K]+ 175.00683 130.5
[M-H]- 135.03639 122.3
[M+Na-2H]- 157.01834 132.4
[M]+ 136.04312 127.2
[M]- 136.04422 127.2
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