CID 42553135

3-iodo-2-(2,2,2-trifluoroethoxy)pyridine

Structural Information

Molecular Formula
C7H5F3INO
SMILES
C1=CC(=C(N=C1)OCC(F)(F)F)I
InChI
InChI=1S/C7H5F3INO/c8-7(9,10)4-13-6-5(11)2-1-3-12-6/h1-3H,4H2
InChIKey
GUUWZDBHSBLCBA-UHFFFAOYSA-N
Compound name
3-iodo-2-(2,2,2-trifluoroethoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

302.9368 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.94408 141.8
[M+Na]+ 325.92602 144.2
[M-H]- 301.92952 133.7
[M+NH4]+ 320.97062 155.1
[M+K]+ 341.89996 147.8
[M+H-H2O]+ 285.93406 129.7
[M+HCOO]- 347.93500 156.0
[M+CH3COO]- 361.95065 190.4
[M+Na-2H]- 323.91147 136.8
[M]+ 302.93625 136.9
[M]- 302.93735 136.9
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