CID 40787492

3-amino-2-fluorobenzonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

280
Patents

136.04367 Da
Monoisotopic Mass

1.1
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

literature stripe

Patent stripe

patents stripe