CID 2735922

56464-70-1

Structural Information

Molecular Formula
C8H7FN2
SMILES
C1=CC(=CC=C1C(C#N)N)F
InChI
InChI=1S/C8H7FN2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8H,11H2
InChIKey
HAEXHZOJAUQXNI-UHFFFAOYSA-N
Compound name
2-amino-2-(4-fluorophenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

63
Patents

150.05933 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.06661 133.3
[M+Na]+ 173.04855 144.4
[M+NH4]+ 168.09315 138.1
[M+K]+ 189.02249 135.2
[M-H]- 149.05205 127.3
[M+Na-2H]- 171.03400 137.1
[M]+ 150.05878 132.2
[M]- 150.05988 132.2
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