CID 2782813

2-chloro-3-fluoro-4-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C6H2ClF4N
SMILES
C1=CN=C(C(=C1C(F)(F)F)F)Cl
InChI
InChI=1S/C6H2ClF4N/c7-5-4(8)3(1-2-12-5)6(9,10)11/h1-2H
InChIKey
YKQVABFVOGPIKX-UHFFFAOYSA-N
Compound name
2-chloro-3-fluoro-4-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

198.98119 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.988466 129.0
[M+Na]+ 221.970408 141.0
[M-H]- 197.973914 126.8
[M+NH4]+ 217.015013 148.2
[M+K]+ 237.944348 136.4
[M+H-H2O]+ 181.978450 120.7
[M+HCOO]- 243.979391 142.8
[M+CH3COO]- 257.995041 181.9
[M+Na-2H]- 219.955856 135.3
[M]+ 198.98064142 125.7
[M]- 198.98173858 125.7
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