CID 155819332

3-amino-2-ethoxy-6-fluorobenzonitrile

Structural Information

Molecular Formula
C9H9FN2O
SMILES
CCOC1=C(C=CC(=C1C#N)F)N
InChI
InChI=1S/C9H9FN2O/c1-2-13-9-6(5-11)7(10)3-4-8(9)12/h3-4H,2,12H2,1H3
InChIKey
DJODGDWJWVAPNL-UHFFFAOYSA-N
Compound name
3-amino-2-ethoxy-6-fluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.06989 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.077166 135.3
[M+Na]+ 203.059108 146.3
[M-H]- 179.062614 137.6
[M+NH4]+ 198.103713 153.4
[M+K]+ 219.033048 143.5
[M+H-H2O]+ 163.067150 122.5
[M+HCOO]- 225.068091 155.8
[M+CH3COO]- 239.083741 196.8
[M+Na-2H]- 201.044556 139.7
[M]+ 180.06934142 129.8
[M]- 180.07043858 129.8
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.