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

30
Patents

212.07613 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.08341 144.1
[M+Na]+ 235.06535 154.0
[M-H]- 211.06885 144.7
[M+NH4]+ 230.10995 160.6
[M+K]+ 251.03929 151.2
[M+H-H2O]+ 195.07339 130.4
[M+HCOO]- 257.07433 161.8
[M+CH3COO]- 271.08998 201.3
[M+Na-2H]- 233.05080 148.5
[M]+ 212.07558 136.9
[M]- 212.07668 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