CID 130091767

2-fluoro-5-(trifluoromethoxy)pyridine-3-carbonitrile

Structural Information

Molecular Formula
C7H2F4N2O
SMILES
C1=C(C=NC(=C1C#N)F)OC(F)(F)F
InChI
InChI=1S/C7H2F4N2O/c8-6-4(2-12)1-5(3-13-6)14-7(9,10)11/h1,3H
InChIKey
BVYLGAAWAMCMSW-UHFFFAOYSA-N
Compound name
2-fluoro-5-(trifluoromethoxy)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.01033 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.01761 130.4
[M+Na]+ 228.99955 142.0
[M-H]- 205.00305 127.9
[M+NH4]+ 224.04415 146.2
[M+K]+ 244.97349 139.6
[M+H-H2O]+ 189.00759 114.7
[M+HCOO]- 251.00853 145.6
[M+CH3COO]- 265.02418 196.2
[M+Na-2H]- 226.98500 136.3
[M]+ 206.00978 121.9
[M]- 206.01088 121.9
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

No patent data available for this compound.