CID 137943441

2287331-71-7

Structural Information

Molecular Formula
C7H3ClF5NO
SMILES
C1=CC(=NC=C1OC(C(F)(F)F)(F)F)Cl
InChI
InChI=1S/C7H3ClF5NO/c8-5-2-1-4(3-14-5)15-7(12,13)6(9,10)11/h1-3H
InChIKey
YSKINVFZCKBEHX-UHFFFAOYSA-N
Compound name
2-chloro-5-(1,1,2,2,2-pentafluoroethoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.98233 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.98961 140.1
[M+Na]+ 269.97155 151.1
[M-H]- 245.97505 136.4
[M+NH4]+ 265.01615 157.0
[M+K]+ 285.94549 146.8
[M+H-H2O]+ 229.97959 130.7
[M+HCOO]- 291.98053 151.1
[M+CH3COO]- 305.99618 189.1
[M+Na-2H]- 267.95700 146.7
[M]+ 246.98178 136.4
[M]- 246.98288 136.4
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.