CID 119013688

3-(difluoromethyl)-4-iodopyridin-2-amine

Structural Information

Molecular Formula
C6H5F2IN2
SMILES
C1=CN=C(C(=C1I)C(F)F)N
InChI
InChI=1S/C6H5F2IN2/c7-5(8)4-3(9)1-2-11-6(4)10/h1-2,5H,(H2,10,11)
InChIKey
UERYKYLKQFMRRT-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)-4-iodopyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.94656 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.95384 137.0
[M+Na]+ 292.93578 139.1
[M-H]- 268.93928 130.0
[M+NH4]+ 287.98038 151.2
[M+K]+ 308.90972 142.5
[M+H-H2O]+ 252.94382 125.6
[M+HCOO]- 314.94476 153.3
[M+CH3COO]- 328.96041 189.0
[M+Na-2H]- 290.92123 129.8
[M]+ 269.94601 130.2
[M]- 269.94711 130.2
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.