CID 71755973

2,6-dichloro-4-(trifluoromethoxy)pyridine

Structural Information

Molecular Formula
C6H2Cl2F3NO
SMILES
C1=C(C=C(N=C1Cl)Cl)OC(F)(F)F
InChI
InChI=1S/C6H2Cl2F3NO/c7-4-1-3(2-5(8)12-4)13-6(9,10)11/h1-2H
InChIKey
LQQQZFORVMZJAB-UHFFFAOYSA-N
Compound name
2,6-dichloro-4-(trifluoromethoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.94655 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.95383 134.1
[M+Na]+ 253.93577 146.3
[M-H]- 229.93927 132.6
[M+NH4]+ 248.98037 152.5
[M+K]+ 269.90971 141.3
[M+H-H2O]+ 213.94381 127.3
[M+HCOO]- 275.94475 144.2
[M+CH3COO]- 289.96040 185.7
[M+Na-2H]- 251.92122 140.4
[M]+ 230.94600 134.6
[M]- 230.94710 134.6
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.