CID 121231798

2-(difluoromethyl)-4-iodopyridine

Structural Information

Molecular Formula
C6H4F2IN
SMILES
C1=CN=C(C=C1I)C(F)F
InChI
InChI=1S/C6H4F2IN/c7-6(8)5-3-4(9)1-2-10-5/h1-3,6H
InChIKey
ARUXKKMDZZRLQS-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)-4-iodopyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.93565 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.942926 128.7
[M+Na]+ 277.924868 130.8
[M-H]- 253.928374 121.9
[M+NH4]+ 272.969473 143.8
[M+K]+ 293.898808 134.7
[M+H-H2O]+ 237.932910 117.6
[M+HCOO]- 299.933851 144.7
[M+CH3COO]- 313.949501 184.1
[M+Na-2H]- 275.910316 123.4
[M]+ 254.93510142 123.3
[M]- 254.93619858 123.3
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.