CID 25210502

3-iodo-2-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C6H3F3IN
SMILES
C1=CC(=C(N=C1)C(F)(F)F)I
InChI
InChI=1S/C6H3F3IN/c7-6(8,9)5-4(10)2-1-3-11-5/h1-3H
InChIKey
AXIRKFLGSOEBGV-UHFFFAOYSA-N
Compound name
3-iodo-2-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

272.92624 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.93352 132.1
[M+Na]+ 295.91546 135.0
[M-H]- 271.91896 124.2
[M+NH4]+ 290.96006 146.7
[M+K]+ 311.88940 138.4
[M+H-H2O]+ 255.92350 120.5
[M+HCOO]- 317.92444 146.5
[M+CH3COO]- 331.94009 185.7
[M+Na-2H]- 293.90091 127.8
[M]+ 272.92569 125.5
[M]- 272.92679 125.5
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