CID 49871752

2-chloro-4-(trifluoromethoxy)pyridine

Structural Information

Molecular Formula
C6H3ClF3NO
SMILES
C1=CN=C(C=C1OC(F)(F)F)Cl
InChI
InChI=1S/C6H3ClF3NO/c7-5-3-4(1-2-11-5)12-6(8,9)10/h1-3H
InChIKey
FDLBKOZVASUZBU-UHFFFAOYSA-N
Compound name
2-chloro-4-(trifluoromethoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

196.98552 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.992796 130.0
[M+Na]+ 219.974738 141.0
[M-H]- 195.978244 128.9
[M+NH4]+ 215.019343 149.1
[M+K]+ 235.948678 137.4
[M+H-H2O]+ 179.982780 122.4
[M+HCOO]- 241.983721 145.2
[M+CH3COO]- 255.999371 179.9
[M+Na-2H]- 217.960186 137.7
[M]+ 196.98497142 129.1
[M]- 196.98606858 129.1
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

patents stripe