CID 61908442

2-amino-3-(2,4-difluorophenoxy)propanenitrile hydrochloride

Structural Information

Molecular Formula
C9H8F2N2O
SMILES
C1=CC(=C(C=C1F)F)OCC(C#N)N
InChI
InChI=1S/C9H8F2N2O/c10-6-1-2-9(8(11)3-6)14-5-7(13)4-12/h1-3,7H,5,13H2
InChIKey
BMGPWZASFQVOPT-UHFFFAOYSA-N
Compound name
2-amino-3-(2,4-difluorophenoxy)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.06047 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.06775 137.7
[M+Na]+ 221.04969 147.5
[M-H]- 197.05319 138.2
[M+NH4]+ 216.09429 154.6
[M+K]+ 237.02363 144.8
[M+H-H2O]+ 181.05773 123.8
[M+HCOO]- 243.05867 156.3
[M+CH3COO]- 257.07432 199.0
[M+Na-2H]- 219.03514 141.1
[M]+ 198.05992 130.1
[M]- 198.06102 130.1
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.