CID 23268885

2-fluoro-5-methylpyrimidine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

231
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

No literature data available for this compound.

Patent stripe

patents stripe