CID 20778073

2-chloro-5-fluoro-4-methylpyrimidine

Structural Information

Molecular Formula
C5H4ClFN2
SMILES
CC1=NC(=NC=C1F)Cl
InChI
InChI=1S/C5H4ClFN2/c1-3-4(7)2-8-5(6)9-3/h2H,1H3
InChIKey
ITAJKPNAPXHDDZ-UHFFFAOYSA-N
Compound name
2-chloro-5-fluoro-4-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

274
Patents

146.0047 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.01198 121.2
[M+Na]+ 168.99392 133.0
[M-H]- 144.99742 121.3
[M+NH4]+ 164.03852 141.3
[M+K]+ 184.96786 129.6
[M+H-H2O]+ 129.00196 114.5
[M+HCOO]- 191.00290 138.7
[M+CH3COO]- 205.01855 173.5
[M+Na-2H]- 166.97937 129.3
[M]+ 146.00415 122.1
[M]- 146.00525 122.1
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