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

227
Patents

136.04367 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.05095 125.2
[M+Na]+ 159.03289 136.2
[M-H]- 135.03639 127.4
[M+NH4]+ 154.07749 144.6
[M+K]+ 175.00683 133.2
[M+H-H2O]+ 119.04093 112.7
[M+HCOO]- 181.04187 146.0
[M+CH3COO]- 195.05752 188.4
[M+Na-2H]- 157.01834 131.2
[M]+ 136.04312 117.4
[M]- 136.04422 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