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
2
Annotation Hits

0
References

81
Patents

150.05933 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.066606 128.5
[M+Na]+ 173.048548 138.3
[M-H]- 149.052054 130.6
[M+NH4]+ 168.093153 147.3
[M+K]+ 189.022488 135.3
[M+H-H2O]+ 133.056590 115.5
[M+HCOO]- 195.057531 149.6
[M+CH3COO]- 209.073181 190.8
[M+Na-2H]- 171.033996 135.7
[M]+ 150.05878142 121.6
[M]- 150.05987858 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