CID 71669302

2-fluoro-6-(trifluoromethoxy)benzonitrile

Structural Information

Molecular Formula
C8H3F4NO
SMILES
C1=CC(=C(C(=C1)F)C#N)OC(F)(F)F
InChI
InChI=1S/C8H3F4NO/c9-6-2-1-3-7(5(6)4-13)14-8(10,11)12/h1-3H
InChIKey
DBEVPZOCVMDKRP-UHFFFAOYSA-N
Compound name
2-fluoro-6-(trifluoromethoxy)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.01508 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.02236 132.2
[M+Na]+ 228.00430 143.9
[M-H]- 204.00780 131.2
[M+NH4]+ 223.04890 149.5
[M+K]+ 243.97824 141.0
[M+H-H2O]+ 188.01234 117.6
[M+HCOO]- 250.01328 148.5
[M+CH3COO]- 264.02893 196.5
[M+Na-2H]- 225.98975 137.7
[M]+ 205.01453 123.8
[M]- 205.01563 123.8
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.