CID 15251694

3-amino-4-fluorobenzonitrile

Structural Information

Molecular Formula
C7H5FN2
SMILES
C1=CC(=C(C=C1C#N)N)F
InChI
InChI=1S/C7H5FN2/c8-6-2-1-5(4-9)3-7(6)10/h1-3H,10H2
InChIKey
BHMZMZOMQYFFQL-UHFFFAOYSA-N
Compound name
3-amino-4-fluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

235
Patents

136.04367 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.050946 125.2
[M+Na]+ 159.032888 136.2
[M-H]- 135.036394 127.4
[M+NH4]+ 154.077493 144.6
[M+K]+ 175.006828 133.2
[M+H-H2O]+ 119.040930 112.7
[M+HCOO]- 181.041871 146.0
[M+CH3COO]- 195.057521 188.4
[M+Na-2H]- 157.018336 131.2
[M]+ 136.04312142 117.4
[M]- 136.04421858 117.4
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