CID 71757386

2-(2,2-difluoroethoxy)pyridine-3-carbonitrile

Structural Information

Molecular Formula
C8H6F2N2O
SMILES
C1=CC(=C(N=C1)OCC(F)F)C#N
InChI
InChI=1S/C8H6F2N2O/c9-7(10)5-13-8-6(4-11)2-1-3-12-8/h1-3,7H,5H2
InChIKey
UOLLSNJVROMVMN-UHFFFAOYSA-N
Compound name
2-(2,2-difluoroethoxy)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.04482 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.05210 130.0
[M+Na]+ 207.03404 140.0
[M-H]- 183.03754 129.3
[M+NH4]+ 202.07864 146.4
[M+K]+ 223.00798 137.7
[M+H-H2O]+ 167.04208 115.2
[M+HCOO]- 229.04302 147.3
[M+CH3COO]- 243.05867 193.8
[M+Na-2H]- 205.01949 135.6
[M]+ 184.04427 123.8
[M]- 184.04537 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.