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

5
Patents

316.90005 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.90733 147.0
[M+Na]+ 339.88927 160.7
[M-H]- 315.89277 141.4
[M+NH4]+ 334.93387 162.2
[M+K]+ 355.86321 153.4
[M+H-H2O]+ 299.89731 138.6
[M+HCOO]- 361.89825 146.7
[M+CH3COO]- 375.91390 202.4
[M+Na-2H]- 337.87472 149.4
[M]+ 316.89950 143.1
[M]- 316.90060 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