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

74
Patents

150.05933 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.066606 131.0
[M+Na]+ 173.048548 140.5
[M-H]- 149.052054 132.7
[M+NH4]+ 168.093153 149.5
[M+K]+ 189.022488 137.6
[M+H-H2O]+ 133.056590 118.1
[M+HCOO]- 195.057531 150.6
[M+CH3COO]- 209.073181 190.9
[M+Na-2H]- 171.033996 135.9
[M]+ 150.05878142 122.5
[M]- 150.05987858 122.5
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