CID 45078676

4-amino-2-fluoro-3-methylbenzonitrile

Structural Information

Molecular Formula
C8H7FN2
SMILES
CC1=C(C=CC(=C1F)C#N)N
InChI
InChI=1S/C8H7FN2/c1-5-7(11)3-2-6(4-10)8(5)9/h2-3H,11H2,1H3
InChIKey
GTAKXKONKSMWLZ-UHFFFAOYSA-N
Compound name
4-amino-2-fluoro-3-methylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

150.05933 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.06661 131.3
[M+Na]+ 173.04855 143.3
[M+NH4]+ 168.09315 136.2
[M+K]+ 189.02249 133.9
[M-H]- 149.05205 125.6
[M+Na-2H]- 171.03400 135.2
[M]+ 150.05878 130.5
[M]- 150.05988 130.5
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

patents stripe