CID 23436940

4-iodo-2-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C6H3F3IN
SMILES
C1=CN=C(C=C1I)C(F)(F)F
InChI
InChI=1S/C6H3F3IN/c7-6(8,9)5-3-4(10)1-2-11-5/h1-3H
InChIKey
OYQSAEIWDLIZHC-UHFFFAOYSA-N
Compound name
4-iodo-2-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

327
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

literature stripe

Patent stripe

patents stripe