CID 24697701

3-[(dimethylamino)methyl]-4-fluorobenzonitrile

Structural Information

Molecular Formula
C10H11FN2
SMILES
CN(C)CC1=C(C=CC(=C1)C#N)F
InChI
InChI=1S/C10H11FN2/c1-13(2)7-9-5-8(6-12)3-4-10(9)11/h3-5H,7H2,1-2H3
InChIKey
UILQPNGITRPREJ-UHFFFAOYSA-N
Compound name
3-[(dimethylamino)methyl]-4-fluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.09062 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.097896 136.3
[M+Na]+ 201.079838 146.3
[M-H]- 177.083344 139.8
[M+NH4]+ 196.124443 155.0
[M+K]+ 217.053778 144.1
[M+H-H2O]+ 161.087880 123.0
[M+HCOO]- 223.088821 157.3
[M+CH3COO]- 237.104471 200.4
[M+Na-2H]- 199.065286 141.2
[M]+ 178.09007142 131.5
[M]- 178.09116858 131.5
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.