CID 20792609

4-fluoro-6-methylpyrimidine

Structural Information

Molecular Formula
C5H5FN2
SMILES
CC1=CC(=NC=N1)F
InChI
InChI=1S/C5H5FN2/c1-4-2-5(6)8-3-7-4/h2-3H,1H3
InChIKey
UHQHGUKUBSUWLV-UHFFFAOYSA-N
Compound name
4-fluoro-6-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

112.04368 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.050956 116.5
[M+Na]+ 135.032898 126.7
[M-H]- 111.036404 116.6
[M+NH4]+ 130.077503 136.9
[M+K]+ 151.006838 125.2
[M+H-H2O]+ 95.040940 109.2
[M+HCOO]- 157.041881 138.7
[M+CH3COO]- 171.057531 168.5
[M+Na-2H]- 133.018346 125.8
[M]+ 112.04313142 115.3
[M]- 112.04422858 115.3
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

patents stripe