CID 89503104

5-iodo-2-(trifluoromethyl)pyrimidine

Structural Information

Molecular Formula
C5H2F3IN2
SMILES
C1=C(C=NC(=N1)C(F)(F)F)I
InChI
InChI=1S/C5H2F3IN2/c6-5(7,8)4-10-1-3(9)2-11-4/h1-2H
InChIKey
YMTZENNBTLAOOT-UHFFFAOYSA-N
Compound name
5-iodo-2-(trifluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

273.92148 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.92876 130.6
[M+Na]+ 296.91070 134.0
[M-H]- 272.91420 121.5
[M+NH4]+ 291.95530 143.9
[M+K]+ 312.88464 137.4
[M+H-H2O]+ 256.91874 118.4
[M+HCOO]- 318.91968 144.2
[M+CH3COO]- 332.93533 185.4
[M+Na-2H]- 294.89615 127.1
[M]+ 273.92093 124.3
[M]- 273.92203 124.3
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

patents stripe