CID 75132213

1557180-27-4

Structural Information

Molecular Formula
C7H8ClFN2
SMILES
CC(C)C1=NC=C(C(=N1)Cl)F
InChI
InChI=1S/C7H8ClFN2/c1-4(2)7-10-3-5(9)6(8)11-7/h3-4H,1-2H3
InChIKey
JRICIVRPJODIFV-UHFFFAOYSA-N
Compound name
4-chloro-5-fluoro-2-propan-2-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.03601 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.04329 130.3
[M+Na]+ 197.02523 141.0
[M-H]- 173.02873 130.2
[M+NH4]+ 192.06983 149.2
[M+K]+ 212.99917 137.5
[M+H-H2O]+ 157.03327 123.3
[M+HCOO]- 219.03421 146.2
[M+CH3COO]- 233.04986 180.4
[M+Na-2H]- 195.01068 136.1
[M]+ 174.03546 131.3
[M]- 174.03656 131.3
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.