CID 118703968

2-amino-4-iodo-6-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C6H4F3IN2
SMILES
C1=C(C=C(N=C1C(F)(F)F)N)I
InChI
InChI=1S/C6H4F3IN2/c7-6(8,9)4-1-3(10)2-5(11)12-4/h1-2H,(H2,11,12)
InChIKey
UACHEWUCCBCZAD-UHFFFAOYSA-N
Compound name
4-iodo-6-(trifluoromethyl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

287.93713 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.94441 140.2
[M+Na]+ 310.92635 143.1
[M-H]- 286.92985 132.2
[M+NH4]+ 305.97095 153.9
[M+K]+ 326.90029 146.0
[M+H-H2O]+ 270.93439 128.4
[M+HCOO]- 332.93533 154.9
[M+CH3COO]- 346.95098 190.6
[M+Na-2H]- 308.91180 134.2
[M]+ 287.93658 132.2
[M]- 287.93768 132.2
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

patents stripe