CID 23657233

3-(3-chloropropyl)-2-fluoro-4-iodopyridine

Structural Information

Molecular Formula
C8H8ClFIN
SMILES
C1=CN=C(C(=C1I)CCCCl)F
InChI
InChI=1S/C8H8ClFIN/c9-4-1-2-6-7(11)3-5-12-8(6)10/h3,5H,1-2,4H2
InChIKey
UXHMHXXJWOGUCI-UHFFFAOYSA-N
Compound name
3-(3-chloropropyl)-2-fluoro-4-iodopyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

298.9374 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.94468 139.3
[M+Na]+ 321.92662 142.4
[M-H]- 297.93012 133.4
[M+NH4]+ 316.97122 153.9
[M+K]+ 337.90056 143.9
[M+H-H2O]+ 281.93466 129.4
[M+HCOO]- 343.93560 152.3
[M+CH3COO]- 357.95125 191.1
[M+Na-2H]- 319.91207 133.6
[M]+ 298.93685 138.4
[M]- 298.93795 138.4
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