CID 20252245

2,3,5-trichloro-4,6-bistrifluoromethyl pyridine

Structural Information

Molecular Formula
C7Cl3F6N
SMILES
C1(=C(C(=NC(=C1Cl)Cl)C(F)(F)F)Cl)C(F)(F)F
InChI
InChI=1S/C7Cl3F6N/c8-2-1(6(11,12)13)3(9)5(10)17-4(2)7(14,15)16
InChIKey
OIWWGZUWYQHWIU-UHFFFAOYSA-N
Compound name
2,3,5-trichloro-4,6-bis(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

316.90005 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.907326 147.0
[M+Na]+ 339.889268 160.7
[M-H]- 315.892774 141.4
[M+NH4]+ 334.933873 162.2
[M+K]+ 355.863208 153.4
[M+H-H2O]+ 299.897310 138.6
[M+HCOO]- 361.898251 146.7
[M+CH3COO]- 375.913901 202.4
[M+Na-2H]- 337.874716 149.4
[M]+ 316.89950142 143.1
[M]- 316.90059858 143.1
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