CID 583466

2-chloro-5-fluoropyrimidine

Structural Information

Molecular Formula
C4H2ClFN2
SMILES
C1=C(C=NC(=N1)Cl)F
InChI
InChI=1S/C4H2ClFN2/c5-4-7-1-3(6)2-8-4/h1-2H
InChIKey
AGYUQBNABXVWMS-UHFFFAOYSA-N
Compound name
2-chloro-5-fluoropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2436
Patents

131.98906 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.996336 116.7
[M+Na]+ 154.978278 127.9
[M-H]- 130.981784 116.6
[M+NH4]+ 150.022883 137.0
[M+K]+ 170.952218 124.8
[M+H-H2O]+ 114.986320 109.9
[M+HCOO]- 176.987261 134.5
[M+CH3COO]- 191.002911 169.4
[M+Na-2H]- 152.963726 126.1
[M]+ 131.98851142 116.8
[M]- 131.98960858 116.8
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