CID 2737104

2-dimethylamino-6-fluorobenzonitrile

Structural Information

Molecular Formula
C9H9FN2
SMILES
CN(C)C1=C(C(=CC=C1)F)C#N
InChI
InChI=1S/C9H9FN2/c1-12(2)9-5-3-4-8(10)7(9)6-11/h3-5H,1-2H3
InChIKey
WWNKVUULRIWDJZ-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-6-fluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

164.07498 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.08226 135.9
[M+Na]+ 187.06420 147.9
[M+NH4]+ 182.10880 141.0
[M+K]+ 203.03814 138.2
[M-H]- 163.06770 130.5
[M+Na-2H]- 185.04965 140.3
[M]+ 164.07443 135.2
[M]- 164.07553 135.2
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