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]+ 181.07717 135.3
[M+Na]+ 203.05911 146.3
[M-H]- 179.06261 137.6
[M+NH4]+ 198.10371 153.4
[M+K]+ 219.03305 143.5
[M+H-H2O]+ 163.06715 122.5
[M+HCOO]- 225.06809 155.8
[M+CH3COO]- 239.08374 196.8
[M+Na-2H]- 201.04456 139.7
[M]+ 180.06934 129.8
[M]- 180.07044 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.