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 153.0
[M+Na]+ 285.01254 164.1
[M+NH4]+ 280.05714 157.7
[M+K]+ 300.98648 160.6
[M-H]- 261.01604 149.6
[M+Na-2H]- 282.99799 158.4
[M]+ 262.02277 153.6
[M]- 262.02387 153.6
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