CID 102814802

3-fluoro-5-(methylamino)benzonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

150.05933 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.06661 128.3
[M+Na]+ 173.04855 139.0
[M-H]- 149.05205 130.8
[M+NH4]+ 168.09315 147.5
[M+K]+ 189.02249 136.1
[M+H-H2O]+ 133.05659 115.6
[M+HCOO]- 195.05753 149.4
[M+CH3COO]- 209.07318 191.8
[M+Na-2H]- 171.03400 134.8
[M]+ 150.05878 121.7
[M]- 150.05988 121.7
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