CID 706147

2-cyano-n-(2-fluorophenyl)acetamide

Structural Information

Molecular Formula
C9H7FN2O
SMILES
C1=CC=C(C(=C1)NC(=O)CC#N)F
InChI
InChI=1S/C9H7FN2O/c10-7-3-1-2-4-8(7)12-9(13)5-6-11/h1-4H,5H2,(H,12,13)
InChIKey
RDAXFILTEIFLSA-UHFFFAOYSA-N
Compound name
2-cyano-N-(2-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

178.05424 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.06152 136.8
[M+Na]+ 201.04346 146.3
[M-H]- 177.04696 138.9
[M+NH4]+ 196.08806 154.5
[M+K]+ 217.01740 143.4
[M+H-H2O]+ 161.05150 123.5
[M+HCOO]- 223.05244 157.1
[M+CH3COO]- 237.06809 194.6
[M+Na-2H]- 199.02891 142.2
[M]+ 178.05369 130.2
[M]- 178.05479 130.2
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