CID 61273

3,5-dichloro-2,4,6-trifluoropyridine

Structural Information

Molecular Formula
C5Cl2F3N
SMILES
C1(=C(C(=NC(=C1Cl)F)F)Cl)F
InChI
InChI=1S/C5Cl2F3N/c6-1-3(8)2(7)5(10)11-4(1)9
InChIKey
PKSORSNCSXBXOT-UHFFFAOYSA-N
Compound name
3,5-dichloro-2,4,6-trifluoropyridine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

4
References

331
Patents

200.93599 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.94327 124.7
[M+Na]+ 223.92521 138.6
[M-H]- 199.92871 123.5
[M+NH4]+ 218.96981 144.7
[M+K]+ 239.89915 133.0
[M+H-H2O]+ 183.93325 118.3
[M+HCOO]- 245.93419 136.3
[M+CH3COO]- 259.94984 183.4
[M+Na-2H]- 221.91066 129.6
[M]+ 200.93544 124.6
[M]- 200.93654 124.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe