CID 17821657

5-fluoro-2-(methylamino)benzonitrile

Structural Information

Molecular Formula
C8H7FN2
SMILES
CNC1=C(C=C(C=C1)F)C#N
InChI
InChI=1S/C8H7FN2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4,11H,1H3
InChIKey
BPCRUEPTQWYLFX-UHFFFAOYSA-N
Compound name
5-fluoro-2-(methylamino)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

150.05933 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.06661 132.1
[M+Na]+ 173.04855 144.1
[M+NH4]+ 168.09315 137.1
[M+K]+ 189.02249 134.2
[M-H]- 149.05205 126.4
[M+Na-2H]- 171.03400 136.5
[M]+ 150.05878 131.3
[M]- 150.05988 131.3
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

patents stripe