CID 61926440

2416237-45-9

Structural Information

Molecular Formula
C10H10F2N2O
SMILES
CC(COC1=CC(=C(C=C1)F)F)(C#N)N
InChI
InChI=1S/C10H10F2N2O/c1-10(14,5-13)6-15-7-2-3-8(11)9(12)4-7/h2-4H,6,14H2,1H3
InChIKey
OARQYBMWGIPPEQ-UHFFFAOYSA-N
Compound name
2-amino-3-(3,4-difluorophenoxy)-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

212.07613 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.083406 144.1
[M+Na]+ 235.065348 154.0
[M-H]- 211.068854 144.7
[M+NH4]+ 230.109953 160.6
[M+K]+ 251.039288 151.2
[M+H-H2O]+ 195.073390 130.4
[M+HCOO]- 257.074331 161.8
[M+CH3COO]- 271.089981 201.3
[M+Na-2H]- 233.050796 148.5
[M]+ 212.07558142 136.9
[M]- 212.07667858 136.9
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

patents stripe