CID 55282725

4-(1-aminoethyl)-3-fluorobenzonitrile

Structural Information

Molecular Formula
C9H9FN2
SMILES
CC(C1=C(C=C(C=C1)C#N)F)N
InChI
InChI=1S/C9H9FN2/c1-6(12)8-3-2-7(5-11)4-9(8)10/h2-4,6H,12H2,1H3
InChIKey
YNSAMDYSPOHAQE-UHFFFAOYSA-N
Compound name
4-(1-aminoethyl)-3-fluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.07498 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.08226 134.7
[M+Na]+ 187.06420 144.7
[M-H]- 163.06770 136.7
[M+NH4]+ 182.10880 153.0
[M+K]+ 203.03814 141.7
[M+H-H2O]+ 147.07224 121.9
[M+HCOO]- 209.07318 154.0
[M+CH3COO]- 223.08883 194.7
[M+Na-2H]- 185.04965 138.5
[M]+ 164.07443 126.9
[M]- 164.07553 126.9
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.