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

24
Patents

196.98552 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.99280 130.0
[M+Na]+ 219.97474 141.0
[M-H]- 195.97824 128.9
[M+NH4]+ 215.01934 149.1
[M+K]+ 235.94868 137.4
[M+H-H2O]+ 179.98278 122.4
[M+HCOO]- 241.98372 145.2
[M+CH3COO]- 255.99937 179.9
[M+Na-2H]- 217.96019 137.7
[M]+ 196.98497 129.1
[M]- 196.98607 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