CID 2773912

2-chloro-4-(trifluoromethyl)pyrimidine

Structural Information

Molecular Formula
C5H2ClF3N2
SMILES
C1=CN=C(N=C1C(F)(F)F)Cl
InChI
InChI=1S/C5H2ClF3N2/c6-4-10-2-1-3(11-4)5(7,8)9/h1-2H
InChIKey
FZRBTBCCMVNZBD-UHFFFAOYSA-N
Compound name
2-chloro-4-(trifluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1641
Patents

181.98586 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.993136 126.9
[M+Na]+ 204.975078 138.3
[M-H]- 180.978584 124.4
[M+NH4]+ 200.019683 145.3
[M+K]+ 220.949018 134.4
[M+H-H2O]+ 164.983120 118.5
[M+HCOO]- 226.984061 140.7
[M+CH3COO]- 240.999711 177.6
[M+Na-2H]- 202.960526 135.1
[M]+ 181.98531142 124.5
[M]- 181.98640858 124.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe