CID 3018660

((4-fluorophenyl)amino)acetonitrile

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

89
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 128.5
[M+Na]+ 173.04855 138.3
[M-H]- 149.05205 130.6
[M+NH4]+ 168.09315 147.3
[M+K]+ 189.02249 135.3
[M+H-H2O]+ 133.05659 115.5
[M+HCOO]- 195.05753 149.6
[M+CH3COO]- 209.07318 190.8
[M+Na-2H]- 171.03400 135.7
[M]+ 150.05878 121.6
[M]- 150.05988 121.6
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