CID 130851850

6-ethoxy-3-iodo-2-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C8H7F3INO
SMILES
CCOC1=NC(=C(C=C1)I)C(F)(F)F
InChI
InChI=1S/C8H7F3INO/c1-2-14-6-4-3-5(12)7(13-6)8(9,10)11/h3-4H,2H2,1H3
InChIKey
PNWJSNIVCGEVPB-UHFFFAOYSA-N
Compound name
6-ethoxy-3-iodo-2-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.95245 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.95973 145.7
[M+Na]+ 339.94167 148.6
[M-H]- 315.94517 137.8
[M+NH4]+ 334.98627 158.8
[M+K]+ 355.91561 152.0
[M+H-H2O]+ 299.94971 133.7
[M+HCOO]- 361.95065 159.6
[M+CH3COO]- 375.96630 194.3
[M+Na-2H]- 337.92712 139.6
[M]+ 316.95190 141.5
[M]- 316.95300 141.5
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

No patent data available for this compound.