CID 17804394

2-fluoro-4-methylpyrimidine

Structural Information

Molecular Formula
C5H5FN2
SMILES
CC1=NC(=NC=C1)F
InChI
InChI=1S/C5H5FN2/c1-4-2-3-7-5(6)8-4/h2-3H,1H3
InChIKey
PSDWUXUUROYIFC-UHFFFAOYSA-N
Compound name
2-fluoro-4-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

348
Patents

112.04368 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.05096 116.5
[M+Na]+ 135.03290 126.7
[M-H]- 111.03640 116.6
[M+NH4]+ 130.07750 136.9
[M+K]+ 151.00684 125.2
[M+H-H2O]+ 95.040940 109.2
[M+HCOO]- 157.04188 138.7
[M+CH3COO]- 171.05753 168.5
[M+Na-2H]- 133.01835 125.8
[M]+ 112.04313 115.3
[M]- 112.04423 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

literature stripe

Patent stripe

patents stripe