CID 165754623

2-chloro-5-(2-fluoropropan-2-yl)pyrimidine

Structural Information

Molecular Formula
C7H8ClFN2
SMILES
CC(C)(C1=CN=C(N=C1)Cl)F
InChI
InChI=1S/C7H8ClFN2/c1-7(2,9)5-3-10-6(8)11-4-5/h3-4H,1-2H3
InChIKey
JOUSGHUJOOBYBX-UHFFFAOYSA-N
Compound name
2-chloro-5-(2-fluoropropan-2-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

174.03601 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.043286 131.8
[M+Na]+ 197.025228 142.2
[M-H]- 173.028734 131.6
[M+NH4]+ 192.069833 150.6
[M+K]+ 212.999168 138.6
[M+H-H2O]+ 157.033270 125.0
[M+HCOO]- 219.034211 147.0
[M+CH3COO]- 233.049861 178.8
[M+Na-2H]- 195.010676 140.0
[M]+ 174.03546142 132.5
[M]- 174.03655858 132.5
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