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]+ 179.097896 138.1
[M+Na]+ 201.079838 147.0
[M-H]- 177.083344 141.3
[M+NH4]+ 196.124443 156.4
[M+K]+ 217.053778 145.2
[M+H-H2O]+ 161.087880 124.6
[M+HCOO]- 223.088821 158.1
[M+CH3COO]- 237.104471 200.2
[M+Na-2H]- 199.065286 142.4
[M]+ 178.09007142 132.3
[M]- 178.09116858 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.