CID 24276551

2-(dimethylamino)-2-(2-fluorophenyl)acetonitrile

Structural Information

Molecular Formula
C10H11FN2
SMILES
CN(C)C(C#N)C1=CC=CC=C1F
InChI
InChI=1S/C10H11FN2/c1-13(2)10(7-12)8-5-3-4-6-9(8)11/h3-6,10H,1-2H3
InChIKey
YZUVBCSIKWSYBZ-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-2-(2-fluorophenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.09062 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.09790 138.1
[M+Na]+ 201.07984 147.0
[M-H]- 177.08334 141.3
[M+NH4]+ 196.12444 156.4
[M+K]+ 217.05378 145.2
[M+H-H2O]+ 161.08788 124.6
[M+HCOO]- 223.08882 158.1
[M+CH3COO]- 237.10447 200.2
[M+Na-2H]- 199.06529 142.4
[M]+ 178.09007 132.3
[M]- 178.09117 132.3
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

No patent data available for this compound.