CID 69720655

5-[5-chloro-1-methyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidine

Structural Information

Molecular Formula
C9H6ClF3N4
SMILES
CN1C(=C(N=C1C(F)(F)F)C2=CN=CN=C2)Cl
InChI
InChI=1S/C9H6ClF3N4/c1-17-7(10)6(5-2-14-4-15-3-5)16-8(17)9(11,12)13/h2-4H,1H3
InChIKey
VBICIBRTSKVVKO-UHFFFAOYSA-N
Compound name
5-[5-chloro-1-methyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

262.02332 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.03060 150.6
[M+Na]+ 285.01254 163.3
[M-H]- 261.01604 148.9
[M+NH4]+ 280.05714 164.8
[M+K]+ 300.98648 157.4
[M+H-H2O]+ 245.02058 139.2
[M+HCOO]- 307.02152 162.3
[M+CH3COO]- 321.03717 193.1
[M+Na-2H]- 282.99799 154.7
[M]+ 262.02277 149.7
[M]- 262.02387 149.7
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

patents stripe