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]+ 179.061516 136.8
[M+Na]+ 201.043458 146.3
[M-H]- 177.046964 138.9
[M+NH4]+ 196.088063 154.5
[M+K]+ 217.017398 143.4
[M+H-H2O]+ 161.051500 123.5
[M+HCOO]- 223.052441 157.1
[M+CH3COO]- 237.068091 194.6
[M+Na-2H]- 199.028906 142.2
[M]+ 178.05369142 130.2
[M]- 178.05478858 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