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]+ 255.94293 128.7
[M+Na]+ 277.92487 130.8
[M-H]- 253.92837 121.9
[M+NH4]+ 272.96947 143.8
[M+K]+ 293.89881 134.7
[M+H-H2O]+ 237.93291 117.6
[M+HCOO]- 299.93385 144.7
[M+CH3COO]- 313.94950 184.1
[M+Na-2H]- 275.91032 123.4
[M]+ 254.93510 123.3
[M]- 254.93620 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.