CID 66292328

4-chloro-2-cyclopropyl-5-iodo-6-methylpyrimidine

Structural Information

Molecular Formula
C8H8ClIN2
SMILES
CC1=C(C(=NC(=N1)C2CC2)Cl)I
InChI
InChI=1S/C8H8ClIN2/c1-4-6(10)7(9)12-8(11-4)5-2-3-5/h5H,2-3H2,1H3
InChIKey
ORPDEYPQIKJYAS-UHFFFAOYSA-N
Compound name
4-chloro-2-cyclopropyl-5-iodo-6-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.94208 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.94936 141.0
[M+Na]+ 316.93130 146.6
[M-H]- 292.93480 139.2
[M+NH4]+ 311.97590 150.3
[M+K]+ 332.90524 147.2
[M+H-H2O]+ 276.93934 130.5
[M+HCOO]- 338.94028 154.5
[M+CH3COO]- 352.95593 193.6
[M+Na-2H]- 314.91675 135.9
[M]+ 293.94153 142.7
[M]- 293.94263 142.7
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.