CID 69605

5-fluoropyrimidine

Structural Information

Molecular Formula
C4H3FN2
SMILES
C1=C(C=NC=N1)F
InChI
InChI=1S/C4H3FN2/c5-4-1-6-3-7-2-4/h1-3H
InChIKey
KSPDSMOWMQFPBL-UHFFFAOYSA-N
Compound name
5-fluoropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

102
References

1294
Patents

98.02802 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.035296 112.0
[M+Na]+ 121.01724 121.7
[M-H]- 97.020744 111.9
[M+NH4]+ 116.06184 132.7
[M+K]+ 136.99118 120.5
[M+H-H2O]+ 81.025280 104.6
[M+HCOO]- 143.02622 134.6
[M+CH3COO]- 157.04187 164.4
[M+Na-2H]- 119.00269 122.7
[M]+ 98.027471 110.1
[M]- 98.028569 110.1
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