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]+ 179.09790 136.3
[M+Na]+ 201.07984 146.3
[M-H]- 177.08334 139.8
[M+NH4]+ 196.12444 155.0
[M+K]+ 217.05378 144.1
[M+H-H2O]+ 161.08788 123.0
[M+HCOO]- 223.08882 157.3
[M+CH3COO]- 237.10447 200.4
[M+Na-2H]- 199.06529 141.2
[M]+ 178.09007 131.5
[M]- 178.09117 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.