CID 3018660

76471-94-8

Structural Information

Molecular Formula
C8H7FN2
SMILES
C1=CC(=CC=C1NCC#N)F
InChI
InChI=1S/C8H7FN2/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,11H,6H2
InChIKey
UAYKXKKZGRYBAQ-UHFFFAOYSA-N
Compound name
2-(4-fluoroanilino)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

150.05933 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.06661 133.1
[M+Na]+ 173.04855 144.7
[M+NH4]+ 168.09315 138.1
[M+K]+ 189.02249 134.6
[M-H]- 149.05205 127.4
[M+Na-2H]- 171.03400 137.6
[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

No literature data available for this compound.

Patent stripe

patents stripe